A SPECIAL ISSUE
A Special Issue on Structures, Properties, and Applications of Nanomaterials: A Computational Exploration
Guest Editors: Jijun Zhao and Zhongfang Chen
J. Comput. Theor. Nanosci. 8, 2395-2397 (2011)
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REVIEWS
Recent Computational Explorations for Nanostructured Hydrogen Storage Materials
Ming Li, Qing Tang, and Zhen Zhou
J. Comput. Theor. Nanosci. 8, 2398-2405 (2011)
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Theoretical Insights into the Structures of Graphene Oxide and Its Chemical Conversions Between Graphene
Xingfa Gao, De-en Jiang, Yuliang Zhao, Shigeru Nagase, Shengbai Zhang, and Zhongfang Chen
J. Comput. Theor. Nanosci. 8, 2406-2422 (2011)
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RESEARCH ARTICLES
Structures and Absorption Optical Spectra of Silicon Cluster Si₉ via First-Principles Calculations
Zhe Li, Xiang-Rong Chen, Jun-Qing Lan, and Yu-Lin Bai
J. Comput. Theor. Nanosci. 8, 2423-2428 (2011)
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The Interaction Between an Oxygen Atom and C₇₀(D_5h): A Density Functional Theory Study
Ce Hao, Lijuan Guo, Peng Jin, Shenmin Li, Weihong Mi, and Jieshan Qiu
J. Comput. Theor. Nanosci. 8, 2429-2433 (2011)
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The Mechanism of O₂ Adsorption and O₂ Dissociation on W(111) Surface: A Density Functional Theory Study
Meng Hsiung Weng, Jin-Yuan Hsieh, Shin Pon Ju, Jee Gong Chang, Hsin Tsung Chen, Hui Lung Chen,
Jenn-Sen Lin, Hsi-Wen Yang, and Wen-Jay Lee
J. Comput. Theor. Nanosci. 8, 2434-2438 (2011)
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Development of Coarse-Grained Configurational-Bias Monte Carlo Simulation of MMA-Oligomers Adsorbed on
Grooved Substrate with Different Aspect Ratios
Chun-Yi Chang, Hsi-Wen Yang, Jenn-Sen Lin, Shin-Pon Ju, and Jin-Yuan Hsieh
J. Comput. Theor. Nanosci. 8, 2439-2447 (2011)
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Structural and Magnetic Instability of Bilayer and Trilayer Zigzag Graphene Nanoribbons
Yanna Zhang, Xiao-Li Lu, Yongjin Jiang, Botao Teng, and Jun-Qiang Lu
J. Comput. Theor. Nanosci. 8, 2448-2453 (2011)
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An Unbiased Structural Optimization of Zinc Sulfide Clusters (ZnS)_n (n = 2-18)
Hongxia Chen, Daning Shi, Baolin Wang, and Jingshan Qi
J. Comput. Theor. Nanosci. 8, 2454-2461 (2011)
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Size and Structure Dependent Elastic and Dynamic Properties of Multi-Shell Nickel Nanowires
Jianwei Zhu, Daning Shi, and Baolin Wang
J. Comput. Theor. Nanosci. 8, 2462-2468 (2011)
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Theoretical Study on the Possibility of SiC Nanotube as Gas Sensors for HCHO Detection
Peng Wu, Wei-Dong Duan, Jing-Xiang Zhao, Qing-Hai Cai, Xiao-Guang Wang, and Xuan-Zhang Wang
J. Comput. Theor. Nanosci. 8, 2469-2473 (2011)
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Theoretical Study on the Encapsulation of Nitrogen Trifluoride (NF₃) Inside CNT
Yun-Long Shen, Jing-Xiang Zhao, Bo Xiao, and Yi-Hong Ding
J. Comput. Theor. Nanosci. 8, 2474-2476 (2011)
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Size and Shape Dependent Surface Free Energy of Metallic Nanoparticles
Shiyun Xiong, Weihong Qi, Baiyun Huang, Mingpu Wang, Yajuan Cheng, and Yejun Li
J. Comput. Theor. Nanosci. 8, 2477-2481 (2011)
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The Heavier, the Better-Increased First Hyperpolarizabilities in M@Calix[4]pyrrole (M = Na and K)
Wei Chen, Guangtao Yu, Peng Jin, Zhi-Ru Li, and Xu-Ri Huang
J. Comput. Theor. Nanosci. 8, 2482-2487 (2011)
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Competition Between Core-Shell and Hollow Cage Structures in the Ga_nAs_n (n = 10-15) Clusters
Bin Lu, Zhao Guo, Lu Wang, and Jijun Zhao
J. Comput. Theor. Nanosci. 8, 2488-2491 (2011)
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Adsorption of Aromatic Heterocyclic Compounds on Pristine and Defect Graphene: A First-Principles Study
Limei Yu, Haili Gao, Jijun Zhao, Jieshan Qiu, and Chang Yu
J. Comput. Theor. Nanosci. 8, 2492-2497 (2011)
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Structural and Vibrational Properties of Neutral Au₁₆
Wei Fa and Jinming Dong
J. Comput. Theor. Nanosci. 8, 2498-2503 (2011)
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Table of Contents to Volume 8, Numbers 1-12, 2011
J. Comput. Theor. Nanosci. 8, 2505-2519 (2011)
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Author Index to Volume 8, Numbers 1-12, 2011
J. Comput. Theor. Nanosci. 8, 2520-2540 (2011)
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Subject Index to Volume 8, Numbers 1-12, 2011
J. Comput. Theor. Nanosci. 8, 2541-2548 (2011)
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RESEARCH ARTICLES
Weak Formulation of Finite Element Method for Nonlocal Beams Using Additional
Boundary Conditions
Mustafa Özgür Yayli
J. Comput. Theor. Nanosci. 8, 2173-2180 (2011)
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Investigation and Comparison of Phase Modulation Approaches for Superfocusing
Yu Liu, Yongqi Fu, and Xiuli Zhou
J. Comput. Theor. Nanosci. 8, 2181-2186 (2011)
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Molecular Dynamics Investigation of -SiC Behavior Under Three-Axial Tensile Loading
B. Mortazavi, A. Simchi, M. K. Besharati-Givi, and A. Rajabpour
J. Comput. Theor. Nanosci. 8, 2187-2192 (2011)
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Computational Modeling of Artemisinins with Antileishmanial Activity
José Ribamar de C. Carvalho, João Elias V. Ferreira, Jardel Pinto Barbosa, Maycon da Silva Lobato,
Carla Carolina F. Meneses, Malúcia Marques Soeiro, Márcio de Souza Farias,
Ruth Catarine O. de Almeida, Kleberson Cajueiro Ventura, José Ciríaco Pinheiro, and
Andréia de Lourdes R. Pinheiro
J. Comput. Theor. Nanosci. 8, 2193-2203 (2011)
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Recognition of Amount of Carbon Atoms of Graphite STM Images
Maofa Wang, Jilin Feng, Yuanjing, Fangping Gao, Xiaoping Zou, Yiheng Yang, Weifeng Shan,
Qingjie Liu, and Ying Han
J. Comput. Theor. Nanosci. 8, 2204-2208 (2011)
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Conjugated Dendrimer: Characterization of a New Class of Organic Materials
Shirsley J. S. da Silva and Jordan Del Nero
J. Comput. Theor. Nanosci. 8, 2209-2213 (2011)
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Buckling Analysis of Multi-Walled Carbon Nanotubes with Consideration of Small Scale Effects
A. Tourki Samaei and M. M. Mirsayar
J. Comput. Theor. Nanosci. 8, 2214-2219 (2011)
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Protein-DNA Interaction: Effect of Helicity on Bubble Size
Conrad B. Tabi, Henri P. Ekobena Fouda, and Timoléon C. Kofané
J. Comput. Theor. Nanosci. 8, 2220-2226 (2011)
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Utilization of the N-Gram Modeling to Construct Phylogenetic Tree for Proteins
Shengli Zhang and Tianming Wang
J. Comput. Theor. Nanosci. 8, 2227-2232 (2011)
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Calculations of Metallofullerene Yields
Zdenek Slanina, Filip Uhlík, Shyi-Long Lee, Ludwik Adamowicz, Takeshi Akasaka, and Shigeru Nagase
J. Comput. Theor. Nanosci. 8, 2233-2239 (2011)
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Molecular Dynamics Study of Elastic Constants and Thermodynamic Properties of Zinc-Blend Ni
Sohail Ahmad
J. Comput. Theor. Nanosci. 8, 2240-2244 (2011)
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Controlling Hyperchaos and Chaotic Projective Hybrid Synchronization with Time Delay in a
Three Positive Lyapunov Exponents of New Four Dimensions Chen System by Adaptive Control
Cheng-Hsiung Yang and Zheng-Ming Ge
J. Comput. Theor. Nanosci. 8, 2245-2254 (2011)
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The Chaos Generalized Synchronization of a Quantum-CNN Chaotic Oscillator with a Double Duffing
Chaotic System by GYC Partial Region Stability Theory
Cheng-Hsiung Yang
J. Comput. Theor. Nanosci. 8, 2255-2265 (2011)
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A New Method for the Similarity Analysis of RNA Secondary Structures
Wenwen Wang and Tianming Wang
J. Comput. Theor. Nanosci. 8, 2266-2270 (2011)
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Parametric Analysis of Piezoelectric Resonances of AlN Layouts for Vibrating Energy Harvesting
Alessandro Massaro and Roberto Cingolani
J. Comput. Theor. Nanosci. 8, 2271-2278 (2011)
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Oxygen Terminated Goldberg Type Si Quantum Dots as Candidates for
Stable Si Fullerene-Like Cages
C. S. Garoufalis
J. Comput. Theor. Nanosci. 8, 2279-2284 (2011)
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Optical Properties of Nanostructures
Vjekoslav Sajfert, Stevo Jacimovski, Jovan P. Šetrajcic, Ljiljana Maškovic, Nikola Bednar,
Nicolina Pop, and Bratislav Tošic
J. Comput. Theor. Nanosci. 8, 2285-2290 (2011)
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Use of Laser Trimming for the Fabrication of High Precise n-p Compensation-Doped Polycrystalline
Silicon Thin-Film Resistors
Bor Wen Liou
J. Comput. Theor. Nanosci. 8, 2291-2298 (2011)
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An Analytical Threshold Voltage Model for the Vertical Sidewall Mosfet with a Curved-Channel
Jatmiko Endro Suseno, Sohail Anwar, Munawar Agus Riyadi, and Razali Ismail
J. Comput. Theor. Nanosci. 8, 2299-2306 (2011)
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An Idea to Produce Composite Nanowires with Copper Nanoparticles Filling Into Carbon Nanotubes
Li-Xia Tian, Chuan-Lu Yang, Mei-Shan Wang, and Xiao-Guang Ma
J. Comput. Theor. Nanosci. 8, 2307-2312 (2011)
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Magneto-Photoionization of Charged Exciton in a Double Quantum Well Heterostructure in
the Influence of Electric Field
N. Angayarkanni, Chang Woo Lee, and A. John Peter
J. Comput. Theor. Nanosci. 8, 2313-2320 (2011)
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Scattering of Electrons by Multi-Walled Cylindrical Potentials
Vivishek Sudhir and Pranawa C. Deshmukh
J. Comput. Theor. Nanosci. 8, 2321-2326 (2011)
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Numerical Analysis of Producing CNTs from Graphite by Thermal Processes
Y. Hundur, M. Warrier, and R. Schneider
J. Comput. Theor. Nanosci. 8, 2327-2330 (2011)
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Classical Thermosize Effects in Degenerate Quantum Gases
Gulru Babac and Altug Sisman
J. Comput. Theor. Nanosci. 8, 2331-2334 (2011)
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The Analytical Study of Electronic and Optical Properties of Pyramid-Like and Cone-Like Quantum Dots
V. Lozovski and V. Piatnytsia
J. Comput. Theor. Nanosci. 8, 2335-2343 (2011)
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Atomistic Investigation of Probe-Based Nanomachining on Cu Twin Boundaries
Junjie Zhang, Tao Sun, Yongda Yan, Yusong He, Yingchun Liang, and Shen Dong
J. Comput. Theor. Nanosci. 8, 2344-2349 (2011)
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A New Method for Computing the Wiener Index of Polyhex Nanotorus
Majid Arezoomand and Bijan Taeri
J. Comput. Theor. Nanosci. 8, 2350-2355 (2011)
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Highly Sensitive SnO₂ (100) Nano-Crystal CH₃OH/C₂H₅OH Gas Sensor Operating at Different Temperatures:
Monte Carlo Studies
L. Mahdavian
J. Comput. Theor. Nanosci. 8, 2356-2361 (2011)
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The Enhancement of Heat Transfer in a Two-Dimensional Enclosure Utilized with Nanofluids Containing
Cylindrical Nanoparticles
Anwar Gavili, Sadollah Ebrahimi, and Jamshid Sabbaghzadeh
J. Comput. Theor. Nanosci. 8, 2362-2375 (2011)
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Dynamic Behavior of Nanoparticle Delivery in Double-Walled Carbon Nanotube
Haw-Long Lee and Win-Jin Chang
J. Comput. Theor. Nanosci. 8, 2376-2380 (2011)
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Airy's Functions in Nonlocal Elasticity
Burhanettin S. Altan
J. Comput. Theor. Nanosci. 8, 2381-2388 (2011)
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Nanoindentation Response of Self-Assembled Monolayers on Gold with Conical Carbon Indenters
Te-Hua Fang, Win-Jin Chang, Yu-Cheng Fan, and Cheng-I Weng
J. Comput. Theor. Nanosci. 8, 2389-2393 (2011)
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RESEARCH ARTICLES
Pressure-Induced Structural Analysis of ZrO₂ Nanoparticle: Molecular Dynamics Simulation
Peng Liang, Yonghong Zhang, Shiping Huang, Peng Wang, and Huiping Tian
J. Comput. Theor. Nanosci. 8, 1901-1909 (2011)
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Dissipative Particle Dynamics Simulation of Self-Assembly of Phosphorylcholine-Containing Poly(L-lactide)
Zhigao Wang, Yuanwei Chen, Jiehua Li, Xianglin Luo, and Hong Tan
J. Comput. Theor. Nanosci. 8, 1910-1915 (2011)
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Polarization Modes Control on the Transmittance Characteristics of One Dimensional Photonic Crystal
Arafa H. Aly and Hassan S. Hanafey
J. Comput. Theor. Nanosci. 8, 1916-1919 (2011)
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Comparison Study on the Electronic Structure of Smallest (2, 2) Carbon Nanotube by Ultra-Soft
Pseudo-Potential and All-Electron Methods
Yuliang Mao, Jianmei Yuan, and Jianxin Zhong
J. Comput. Theor. Nanosci. 8, 1920-1924 (2011)
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Protein-Protein Interaction Extraction Based on Improved All-Paths Kernel
Yijia Zhang, Hongfei Lin, Zhihao Yang, and Yanpeng Li
J. Comput. Theor. Nanosci. 8, 1925-1932 (2011)
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A Revisit to Capture the Entire Behavior of Ultrasonic Wave Dispersion Characteristics of Single Walled
Carbon Nanotubes Based on Nonlocal Elasticity Theory and Flügge Shell Model
S. Narendar and S. Gopalakrishnan
J. Comput. Theor. Nanosci. 8, 1933-1944 (2011)
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Quantitative Structure-Activity Relationship (QSAR) on New Benzothiazoles Derived Substituted
Piperazine Derivatives
Najim A. Al-Masoudi, Basil Salih, and Yaseen A. Al-Soud
J. Comput. Theor. Nanosci. 8, 1945-1949 (2011)
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Theoretical and Computational Modeling of Endohedral Functionalization Energy for Armchair
Models of Nanotubes
Massimo Fusaro
J. Comput. Theor. Nanosci. 8, 1950-1953 (2011)
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Variational Principles for Vibrating Carbon Nanotubes Modeled as Cylindrical Shells Based on Strain
Gradient Nonlocal Theory
Sarp Adali
J. Comput. Theor. Nanosci. 8, 1954-1962 (2011)
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Effects of Magnetic Fields on the Synchronization of Calcium Oscillations in Coupled Cells
Yuhong Zhang, Yongli Zhao, Yingrong Han, Hui Liu, and Yong Zhan
J. Comput. Theor. Nanosci. 8, 1963-1966 (2011)
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Design and Modeling of Carbon Nanotube Electromechanical Switches for Logic Device Application
Bei Peng, Li Ding, and Zaoyang Guo
J. Comput. Theor. Nanosci. 8, 1967-1972 (2011)
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Theoretical and Experiment Investigation on I-V Characteristics of Carbon Nanotube Based Device
Ying Wu, Junjie Bai, Aixi Chen, Zhaoying Zhou, and Yi Xiang
J. Comput. Theor. Nanosci. 8, 1973-1976 (2011)
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Quantum Transport Through Mesoscopic Rings: A Way of Current Modulation
Santanu K. Maiti
J. Comput. Theor. Nanosci. 8, 1977-1981 (2011)
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Toward Mechanosynthesis of Diamondoid Structures: VIII. Quantum-Chemical Molecular Dynamics
Simulations of Hexagonal Silicon-IV Structure Synthesis with STM
Aleksander Herman
J. Comput. Theor. Nanosci. 8, 1982-1985 (2011)
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Analysis of the Nano-Surface of a Modified Glassy Carbon Electrode by Pseudo Phase Plane Method
J. A. Tenreiro Machado, Dumitru Baleanu, Erdal Dinç, Ali Osman Solak, Haslet Ek?i, and Remziye Güzel
J. Comput. Theor. Nanosci. 8, 1986-1992 (2011)
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Ballistic Conductance Model of Bilayer Graphene Nanoribbon (BGN)
Hatef Sadeghi, M. T. Ahmadi, B. I. Ishak, S. M. Mousavi, and Razali Ismail
J. Comput. Theor. Nanosci. 8, 1993-1998 (2011)
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A Cellular Automaton Approach to the Simulation of Active Self-Assembly of Kinesin-Powered
Molecular Shuttles
Jasmine D. Crenshaw, Tao Liang, Henry Hess, and Simon R. Phillpot
J. Comput. Theor. Nanosci. 8, 1999-2005 (2011)
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Airy Stress Functions for Transverse Sinusoidally Loaded Beam in Nonlocal Elasticity
Mustafa Özgür Yayli
J. Comput. Theor. Nanosci. 8, 2006-2012 (2011)
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Simulation of Program/Erase and Capacitance-Voltage Characteristics of Metal Nanocrystal Memory
Pei-Hong Cheng, Shi-Hua Huang, and Feng-Min Wu
J. Comput. Theor. Nanosci. 8, 2013-2018 (2011)
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Wave Propagation and Scattering in Deformed Single-Wall Carbon Nanotubes
Chuan Lin, Hongtao Wang, and Wei Yang
J. Comput. Theor. Nanosci. 8, 2019-2024 (2011)
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Analytic Solution for Symmetric DG MOSFETs with Gate-Oxide-Thickness Asymmetry
R. K. Baruah and N. Bora
J. Comput. Theor. Nanosci. 8, 2025-2028 (2011)
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Bilayer Graphene Nanoribbon Carrier Statistic in Degenerate and Non Degenerate Limit
S. Mahdi Mousavi, Mohammad Taghi Ahmadi, Hatef Sadeghi, Azadeh Nilghaz, Azizah Amin,
Zaharah Johari, and Razali Ismail
J. Comput. Theor. Nanosci. 8, 2029-2032 (2011)
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Numerical and Analytical Solution of Gas Flow Through a Micro-Nano Porous Media: A Comparison
J. A. Rad, S. M. Ghaderi, and K. Parand
J. Comput. Theor. Nanosci. 8, 2033-2041 (2011)
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Application of 3D DNA Self-Assembly for Graph Coloring Problem
Xuncai Zhang, Minqi Lin, and Ying Niu
J. Comput. Theor. Nanosci. 8, 2042-2049 (2011)
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Influence of Defects During the Tensile Deformation of Cu-Al Joint Interfaces at the Nano Scale
L. Wang, H. W. Zhang, and X. Deng
J. Comput. Theor. Nanosci. 8, 2050-2057 (2011)
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A Conformational Study of (E)- and (Z)-Pyridine-2-Carbaldehyde-2'-Pyridylhydrazone
Daniel S. S. Dias, Tainá G. Barros, Marcieni A. Andrade, Ana C. Baetas, Enéas A. Fontes, Jr., Marcos V. S. Silva,
Carlos A. L. Barros, and Rosivaldo S. Borges
J. Comput. Theor. Nanosci. 8, 2058-2060 (2011)
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An Electronic Study of Tocopherol-Ring Regioisomers as Antioxidants
Rogério P. Braga, Fransuelen K. C. Moraes, Melissa M. Manhaes, Marcieni A. Andrade, Ana C. Baetas,
Eduardo D. Almeida, Enéas A. Fontes, Jr., Marcos V. S. Silva, Milton N. Silva, Mara S. P. Arruda, and
Rosivaldo S. Borges
J. Comput. Theor. Nanosci. 8, 2061-2065 (2011)
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Reading What Machines "Think": A Challenge for Nanotechnology
Stefano Prezioso, Danilo Croce, and Fabio Massimo Zanzotto
J. Comput. Theor. Nanosci. 8, 2066-2071 (2011)
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Modelling Carbon Nanostructures for Filtering and Adsorbing Polycyclic Aromatic Hydrocarbons
Thien Tran-Duc and Ngamta Thamwattana
J. Comput. Theor. Nanosci. 8, 2072-2077 (2011)
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Prefoldin: A Nano Actuator for Carrying the Various Size Nano Drugs
A. Ghaffari, A. Shokuhfar, and R. Hasanzadeh Ghasemi
J. Comput. Theor. Nanosci. 8, 2078-2086 (2011)
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Evaluating the Effect of Mechanical Loading on the Electrical Percolation Threshold of Carbon Nanotube
Reinforced Polymers: A 3D Monte-Carlo Study
A. Ghazavizadeh, M. Baniassadi, M. Safdari, A. A. Atai, S. Ahzi, S. A. Patlazhan, J. Gracio, and D. Ruch
J. Comput. Theor. Nanosci. 8, 2087-2099 (2011)
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Characteristics of Three-Dimensional Simulation and Design of Fin Field Effect Transistors with
37~18 nm Channel Length
Bor-Wen Liou
J. Comput. Theor. Nanosci. 8, 2100-2107 (2011)
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An Effective Gene Selection Method for Cancer Classification Based on Locally Linear Embedding
Yongxiang Lang, Zheng Qin, and Xing Li
J. Comput. Theor. Nanosci. 8, 2108-2111 (2011)
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DNA Directed Model for Shortest Superstring Problem
Liu Xikui, Li Yan, and Xu Jin
J. Comput. Theor. Nanosci. 8, 2112-2117 (2011)
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Nonlocal Plate Model for the Free Vibration Analysis of Nanoplates with Different Boundary Conditions
A. Shakouri, T. Y. Ng, and R. M. Lin
J. Comput. Theor. Nanosci. 8, 2118-2128 (2011)
[Abstract] [Full Text - PDF] [Purchase Article]

Thermal Conductivity Calculation with the Molecular Dynamics Direct Method I: More Robust
Simulations of Solid Materials
P. C. Howell
J. Comput. Theor. Nanosci. 8, 2129-2143 (2011)
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Thermal Conductivity Calculation with the Molecular Dynamics Direct Method II: Improving the
Computational Efficiency
P. C. Howell
J. Comput. Theor. Nanosci. 8, 2144-2154 (2011)
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Prediction of Protein Function Using Ant Colony Sequence Alignment
Qingguang Zeng, Bo Liao, Hao Liu, Dachao Li, and Renfa Li
J. Comput. Theor. Nanosci. 8, 2155-2158 (2011)
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Structural and Electronic Properties of Ammonia Adsorption on the C₃₀B₁₅N₁₅ Heterofullerene: A Density
Functional Theory Study
Ehsan Zahedi, Ahmad Seif, and Temer S. Ahmadi
J. Comput. Theor. Nanosci. 8, 2159-2165 (2011)
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Single Electron's Dynamical Behavior in a Two Dimensional Anisotropic Quantum Dot with Account of
Rashba Effect
Masoumeh Sisakhti, Mohammad Mehdi Golshan, and Maryam Sanaee
J. Comput. Theor. Nanosci. 8, 2166-2171 (2011)
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RESEARCH ARTICLES
A Theoretical Study of Chloroquine Tautomerism
Sarah R. R. A. Scalercio, Glaécia A. N. Pereira, Izabel D. M. Correa, Davi J. Oliveira,
Antonio M. J. Chaves Neto, and Rosivaldo S. Borges
J. Comput. Theor. Nanosci. 8, 1639-1642 (2011)
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Shell Thickness Dependent Non-Monotonic Plasmon Shift of Gold-Protein Core-Shell Nanoparticle Thin Films
Yuan Haiying, Zhu Jian, Li Jianjun, and Zhao Junwu
J. Comput. Theor. Nanosci. 8, 1643-1647 (2011)
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Theoretical and Computational Modeling of Functionalization Energy versus Length for Armchair
Models of Nanotubes
Massimo Fusaro
J. Comput. Theor. Nanosci. 8, 1648-1652 (2011)
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A Stoichiometric Model of the Kinetics of Nanoparticle Clusterings Mediated by Antigen-Antibody Interactions
Joseph P. Brennan and Teng Chen
J. Comput. Theor. Nanosci. 8, 1653-1658 (2011)
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Modelling the Energetic Adsorption of Cu Nano-Clusters on a Randomly-Rough Cu(100)
Nano-Surface
Sh. Behzadi and H. Rafii-Tabar
J. Comput. Theor. Nanosci. 8, 1659-1669 (2011)
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The Phenomena of Reflection and Transmission Waves in Smart Nano Materials
Abo-el-nour N. Abd-Alla, Hassan A. Eshaq, and Hanan ElHaes
J. Comput. Theor. Nanosci. 8, 1670-1678 (2011)
[Abstract] [Full Text - PDF] [Purchase Article]

Atomic Structures and Electronic Properties of Several Alkaline Earth Metals on Graphene
Cuneyt Berkdemir
J. Comput. Theor. Nanosci. 8, 1679-1685 (2011)
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Effects of Surface Roughness on Nanojet Ejection Process Using Molecular Dynamics Simulation
Shiang-Jiun Lin, Cheng-Da Wu, Te-Hua Fang, and Li-Min Kuo
J. Comput. Theor. Nanosci. 8, 1686-1693 (2011)
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Electron-Phonon Scattering Rates in Semiconducting Zig-Zag Carbon Nanotubes
K. Thiagarajan and U. Lindefelt
J. Comput. Theor. Nanosci. 8, 1694-1702 (2011)
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Toward Mechanosynthesis of Diamondoid Structures: VII. Simple Strategy of Building Atomically
Perfect SPM Tip Through Attachment of C₆₀ Molecule to Commercial Silicon Tip by Controlled
Hydrogen Atom Desorption from Tip Asperity Si(111) Silicon Surface
Aleksander Herman
J. Comput. Theor. Nanosci. 8, 1703-1709 (2011)
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Selenium Nanostructures Adsorbed on Carbon Nanotubes: A DFT Investigation
Renata Bergoli, R. Mota, Ivana Zanella, L. B. da Silva, and Solange B. Fagan
J. Comput. Theor. Nanosci. 8, 1710-1715 (2011)
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Molecular Gun Composed of Carbon Nanotube
Hu Zhili, Guo Xingming, and Johan Liu
J. Comput. Theor. Nanosci. 8, 1716-1719 (2011)
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Thermodynamic Cycles Based on Classical Thermosize Effects
G. Babac and A. Sisman
J. Comput. Theor. Nanosci. 8, 1720-1726 (2011)
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Steady State Thermoelasticity of Hollow Nanospheres
Sadeq Malakooti, Reihaneh Malakooti, and Mohammad Hadi Valavi
J. Comput. Theor. Nanosci. 8, 1727-1731 (2011)
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A Physics Based Yet Computation Efficient Core Model for Undoped Surrounding-Gate MOSFET
Current-Voltage and Capacitance-Voltage Characteristics Prediction
Min Shi, Jin He, Lining Zhang, Jian Zhang, Zhiwei Liu, Wen Wu, Wenping Wang, Yong Ma, Xukai Zhang, and
Hao Zhuang
J. Comput. Theor. Nanosci. 8, 1732-1738 (2011)
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Quantum Confinement Effect in Pristine and Oxygen Covered Silicon Nanocrystals with Surface States
Sudip Chakraborty, Ch. Rajesh, Shailaja Mahamuni, and S. V. Ghaisas
J. Comput. Theor. Nanosci. 8, 1739-1743 (2011)
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Influence of Tip-Sample Energy Dissipation on Interaction Force Regime Characterization with Dual-Frequency
Excitation
Andrew J. Dick
J. Comput. Theor. Nanosci. 8, 1744-1750 (2011)
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Numerical Simulation of Nano Particles in a Fluidized Bed
Afsin Gungor
J. Comput. Theor. Nanosci. 8, 1751-1754 (2011)
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Self-Consistent-Charge Density-Functional Tight-Binding/MD Simulation of Transition Metal
Catalyst Particle Melting and Carbide Formation
Yoshiko Okamoto, Fuyuko Kawamura, Yasuhito Ohta, Alister J. Page, Stephan Irle, and Keiji Morokuma
J. Comput. Theor. Nanosci. 8, 1755-1763 (2011)
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Shape Dependent Electronic Properties of Aluminium Nitride Nanowires
Pankaj Srivastava and Satyendra Singh
J. Comput. Theor. Nanosci. 8, 1764-1768 (2011)
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Novel Efficient Adder Circuits for Quantum-Dot Cellular Automata
Samira Sayedsalehi, Mohammad Hossein Moaiyeri, and Keivan Navi
J. Comput. Theor. Nanosci. 8, 1769-1775 (2011)
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Modulational Instability of Two-Component Peyrard-Bishop-Dauxois Model
Donatien Toko, Alidou Mohamadou, Conrad B. Tabi, and Timoleon C. Kofane
J. Comput. Theor. Nanosci. 8, 1776-1783 (2011)
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Modeling of Vertically Aligned Carbon Nanotube Composites for Vibration Damping
J. Y. Jia and W. H. Liao
J. Comput. Theor. Nanosci. 8, 1784-1791 (2011)
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Feature Selection on Cancer Classification by a Two-Step Clustering Algorithm
Bo Liao, Yan Lu, Wen Zhu, and Renfa Li
J. Comput. Theor. Nanosci. 8, 1792-1797 (2011)
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Co-Adsorptions of Hydrogen Molecules with Single Wall Silicon Carbide Nanotubes: An Ab Initio Study
Souptik Mukherjee and Asok K. Ray
J. Comput. Theor. Nanosci. 8, 1798-1810 (2011)
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Structure and Properties of Dual-Ti-Doped Single-Walled Carbon Nanotubes Within Density Functional Theory
Li-Li Yu, Sen Zhang, Qi Dong, Xian-Zhen Meng, and Wei Quan Tian
J. Comput. Theor. Nanosci. 8, 1811-1820 (2011)
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Buckling Analysis of Cantilever Carbon Nanotubes Using the Strain Gradient Elasticity and Modified
Couple Stress Theories
B. Akgöz and Ö. Civalek
J. Comput. Theor. Nanosci. 8, 1821-1827 (2011)
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The Stochastic Approach to Parallel Spins Analysis
Vjekoslav Sajfert, Ivana Vlajic-Naumovska, Jovan P. Šetrajcic, Marina Petrovic, and Bratislav Tošic
J. Comput. Theor. Nanosci. 8, 1828-1830 (2011)
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A Modified Nanoelectronic Winner-Take-All Circuit for Room Temperature Operation
Janaina Gonçalves Guimarães and José Camargo da Costa
J. Comput. Theor. Nanosci. 8, 1831-1835 (2011)
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Innovative Line Segment Fabrication Model of Near Field Photolithography and Simulation Analysis
Ching-Been Yang
J. Comput. Theor. Nanosci. 8, 1836-1846 (2011)
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A Computational Study on Antimalarial Dispiro-1,2,4-Trioxolanes
Antonio Florencio Figueiredo, João Elias Vidueira Ferreira, Jardel Pinto Barbosa, Williams Jorge da Cruz Macedo,
Maria da Gloria Gomes Cristino, Maycon da Silva Lobato, José Ciríaco Pinheiro, and Raymony Tayllon Alves Serra
J. Comput. Theor. Nanosci. 8, 1847-1856 (2011)
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A Rigorous and Concise Surface Potential-Based Core Model for the Undoped Symmetric
Double-Gate Metal-Oxide-Semiconductor Field Effect Transistors
Xukai Zhang, Jin He, Lining Zhang, Jian Zhang, Yong Ma, Wen Wu, Wenping Wang,
Ruonan Wang, Xin Gu, and Mansun Chan
J. Comput. Theor. Nanosci. 8, 1857-1862 (2011)
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Structural and Electronic Properties of Small Zinc Nanoclusters
Prabodh Sahai Saxena, Pankaj Srivastava, and Ashwani Kr. Shrivastava
J. Comput. Theor. Nanosci. 8, 1863-1869 (2011)
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Molecular Dynamics Simulation of Stress-Strain Relation in Carbon Nanotube-Reinforced Hydroxyapatite
Nanocomposite
K. Yaghmaei, R. Tavakoli-Darestani, and H. Rafii-Tabar
J. Comput. Theor. Nanosci. 8, 1870-1877 (2011)
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The General Sum-Connectivity Indices of Benzenoid Systems and Phenylenes
Feiying Ma and Hanyuan Deng
J. Comput. Theor. Nanosci. 8, 1878-1881 (2011)
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Changes in Mechanical Properties and Fracture Behavior of Single Wall Carbon Nanotubes on
Bundle Formation
K. Talukdar and A. K. Mitra
J. Comput. Theor. Nanosci. 8, 1882-1887 (2011)
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Application of Radiation Processing of Materials to Increase Sharpness of p-n-Junction in a
Semiconductor Heterostructure
E. L. Pankratov
J. Comput. Theor. Nanosci. 8, 1888-1894 (2011)
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COMMUNICATION
Origin of the Redox-Induced Conductance Transition in a Thin Film of Switchable Rotaxanes
Matthew Rossi and Karl Sohlberg
J. Comput. Theor. Nanosci. 8, 1895-1899 (2011)
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REVIEW
Machine Learning: How It Can Help Nanocomputing
Mikko A. Uusitalo, Jaakko Peltonen, and Tapani Ryhänen
J. Comput. Theor. Nanosci. 8, 1347-1363 (2011)
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RESEARCH ARTICLES
Simulated Real-Time Detection of a Small Molecule on a Carbon Nanotube Cantilever
Reese E. Jones, Jeremy A. Templeton, and Timothy W. Rebold
J. Comput. Theor. Nanosci. 8, 1364-1384 (2011)
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Understanding the Molecular Properties of Doxorubicin Filling Inside and Wrapping Outside Single-Walled
Carbon Nanotubes
Purinchaya Sornmee, Thanyada Rungrotmongkol, Oraphan Saengsawang, Uthumporn Arsawang,
Tawun Remsungnen, and Supot Hannongbua
J. Comput. Theor. Nanosci. 8, 1385-1391 (2011)
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Molecular Hydrogen Interacting with Si-, S- and P-doped C60 Fullerenes and Carbon Nanotube
M. D. Ganji, N. Ahmadian, M. Goodarzi, and H. A. Khorrami
J. Comput. Theor. Nanosci. 8, 1392-1399 (2011)
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Stabilization of Aqueous Electromeric Nano-Domains
George Czerlinski and Tjalling Ypma
J. Comput. Theor. Nanosci. 8, 1400-1408 (2011)
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Study of the Electric Dipole Moment in Multiple Tunnel Junction Arrays for Potential Single Electron
Memory Cell Operation
George T. Zardalidis
J. Comput. Theor. Nanosci. 8, 1409-1417 (2011)
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First Principle Study of Structural and Electronic Properties of Silicon Nanowires
Anurag Srivastava, Neha Tyagi, and R. K. Singh
J. Comput. Theor. Nanosci. 8, 1418-1423 (2011)
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Optical Characterization of Hexagram Metallic Nanoholes
Shaoli Zhu and Wei Zhou
J. Comput. Theor. Nanosci. 8, 1424-1427 (2011)
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A Geometric and Electronic Study of Dapsone
Anna P. S. Mendes, Taysa R. Schalcher, Tainá G. Barros, Eduardo D. Almeida, Cristiane S. F. Maia,
Carlos A. L. Barros, Marta C. Monteiro, and Rosivaldo S. Borges
J. Comput. Theor. Nanosci. 8, 1428-1431 (2011)
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Vibration Analyses of Nanoplates with Various Boundary Conditions Using DQ Method
S. C. Pradhan and R. Raj
J. Comput. Theor. Nanosci. 8, 1432-1436 (2011)
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Fluid Mechanics of Quantum Systems
C. T. Lin and T. H. Yen
J. Comput. Theor. Nanosci. 8, 1437-1448 (2011)
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Continuum Aspect of Nanomechanics: From Micromorphic Theory to Atomistic Field Theory
Xianqiao Wang
J. Comput. Theor. Nanosci. 8, 1449-1466 (2011)
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Analytical Modeling of Graphene Nanoribbon Schottky Diodes Using Asymmetric Contacts
Alireza Kargar
J. Comput. Theor. Nanosci. 8, 1467-1472 (2011)
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The Interaction Between C₃₆(D_6h) and X Atom (X ? H and F)
Yubo Huang, Tianyao Fan, Ce Hao, Shenmin Li, and Jieshan Qiu
J. Comput. Theor. Nanosci. 8, 1473-1479 (2011)
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Tuning Concept and Design Criteria of Efficient Planar Metallic Plasmon Waveguides Using Nanocomposite
Materials for Electromagnetic Radiation Applications
Alessandro Massaro, Fabrizio Spano, Roberto Cingolani, and Athanassia Athanassiou
J. Comput. Theor. Nanosci. 8, 1480-1488 (2011)
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Equivalent-Circuit Modeling of Electrical Properties in DNA Molecules
Weicong Li and H. L. Kwok
J. Comput. Theor. Nanosci. 8, 1489-1492 (2011)
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Buckling Properties of 7-5-5-7 Defected Single Walled Carbon Nanotubes Under Axial Compression
Biao Kan, Jianning Ding, Ningyi Yuan, Tongshu Hua, Zhihui Chen, Yurong Ren, Yuanyuan Zhu, and Ying Wang
J. Comput. Theor. Nanosci. 8, 1493-1497 (2011)
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3-D Numerical Simulation Study on 20 nm NMOSFET Design
Min Shi, Jin He, Zhiwei Liu, Wenping Wang, Wei Zhao, Ruonan Wang, Wen Wu, Yong Ma, Dongwei Zhang, Wei Bian,
Mansun Chan, Xukai Zhang, and Lining Zhang
J. Comput. Theor. Nanosci. 8, 1498-1501 (2011)
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Anomalous Dependence of Band Gaps of Binary Nanotubes on Diameters
K. Adhikari, M. N. Huda, and A. K. Ray
J. Comput. Theor. Nanosci. 8, 1502-1508 (2011)
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Studying the Electronic Properties of Fullerene Alkali Dimers
Hanan Elhaes and Afaf Babaier
J. Comput. Theor. Nanosci. 8, 1509-1512 (2011)
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Electronic and Magnetic Properties of BN Monolayer Sheets with H- or O-Saturated Vacancies:
A First-Principles Study
Yao Cui, Qing Tang, Yafei Li, and Zhen Zhou
J. Comput. Theor. Nanosci. 8, 1513-1519 (2011)
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Hybrid CMOS-SET Arithmetic Circuit Design Using Coulomb Blockade Oscillation Characteristic
Guoqing Deng and Chunhong Chen
J. Comput. Theor. Nanosci. 8, 1520-1526 (2011)
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Nonlinear Vibrations of a Carbon Nanotube Resonator Under Electrical and van der Waals Forces
A. Hajnayeb and S. E. Khadem
J. Comput. Theor. Nanosci. 8, 1527-1534 (2011)
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Simulation of Gas Flow in Micro and Nano-Scale Using Developed Lattice Boltzmann Method
H. Tamaddon and M. Raisee
J. Comput. Theor. Nanosci. 8, 1535-1543 (2011)
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COMMUNICATIONS
Quantum Dot from Chiral Metallic Single Walled Nanotubes
R. Banerjea and J. Bhattacharjee
J. Comput. Theor. Nanosci. 8, 1544-1547 (2011)
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Computation Efficient Yet Accurate Surface Potential Based Analytic Model for Symmetric DG MOSFETs to
Predict Current-Voltage Characteristics
Jin He, Min Shi, Lining Zhang, Jian Zhang, Chi Liu, Hao Zhuang, and Mansun Chan
J. Comput. Theor. Nanosci. 8, 1548-1551 (2011)
[Abstract] [Full Text - PDF] [Purchase Article]

Comment on Radiative Heat Exchange Between Spherical Particles at Small Distances
G. V. Dedkov and A. A. Kyasov
J. Comput. Theor. Nanosci. 8, 1552-1553 (2011)
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A SPECIAL SECTION
A Special Section on Numerical Methods for Optical Nanostructures
Guest Editor: Christian Hafner
J. Comput. Theor. Nanosci. 8, 1554-1555 (2011))
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RESEARCH ARTICLES
Simulations of a Dielectric Slot Tip for Scanning Near-Field Microwave Microscope
Patrick Leidenberger, Philipp Schönle, and Christian Hafner
J. Comput. Theor. Nanosci. 8, 1556-1563 (2011)
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On High-Order FEM Applied to Canonical Scattering Problems in Plasmonics
Mengyu Wang, Christian Engström, Kersten Schmidt, and Christian Hafner
J. Comput. Theor. Nanosci. 8, 1564-1572 (2011)
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3-Dimensional Time-Domain Full-Wave Analysis of Optical Array Antennas
Benedikt Oswald, Aleksejs Fomins, Arya Fallahi, Patrick Leidenberger, and Peter Bastian
J. Comput. Theor. Nanosci. 8, 1573-1589 (2011)
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Boundary Integral Equation Method for the Analysis of Tunable Light Scattering Properties of Plasmonic
Core-Shell Nanoparticles
Ludmila Raguin, Christian Hafner, and Pascal Leuchtmann
J. Comput. Theor. Nanosci. 8, 1590-1599 (2011)
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Using Layered Geometry Green's Functions in the Multiple Multipole Program
Aytaç Alparslan and Christian Hafner
J. Comput. Theor. Nanosci. 8, 1600-1608 (2011)
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The Method of Auxiliary Sources Approach to Modeling of Electromagnetic Field Scattering on
Two-Dimensional Periodic Structures
D. Kakulia, K. Tavzarashvili, G. Ghvedashvili, D. Karkashadze, and Ch. Hafner
J. Comput. Theor. Nanosci. 8, 1609-1618 (2011)
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Scattering Suppression and Field Enhancement of the Fundamental Plasmonic Mode in Bent Nanorods
Anders Pors, Morten Willatzen, Ole Albrektsen, and Sergey I. Bozhevolnyi
J. Comput. Theor. Nanosci. 8, 1619-1624 (2011)
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Acceleration of Parameter Studies in the Fourier Modal Method by Introducing Lateral Shift Matrices
Thomas Weiss, Nikolay A. Gippius, Sergei G. Tikhodeev, Gérard Granet, and Harald Giessen
J. Comput. Theor. Nanosci. 8, 1625-1630 (2011)
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Global Surface Parameterization by Smooth Facet Selection
Ralf Vogelgesang
J. Comput. Theor. Nanosci. 8, 1631-1638 (2011)
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REVIEW
Molecular Dynamics Simulation of Viscous Flow and Heat Conduction in Liquid Crystals
Sten Sarman and Aatto Laaksonen
J. Comput. Theor. Nanosci. 8, 1081-1100 (2011)
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RESEARCH ARTICLES
Physical Mechanism of Nitrogen Implantation Into Silicon Using Molecular Dynamics Simulation
Te-Hua Fang, Win-Jin Chang, Sung-Shui Chi, and Jia-Hung Liao
J. Comput. Theor. Nanosci. 8, 1101-1105 (2011)
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Interaction Behavior of a Silicon Dioxide Nanotube Interface
Xiao Wang and K. M. Liew
J. Comput. Theor. Nanosci. 8, 1106-1110 (2011)
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Lubrication Generated Between Two Sliding Parallel Plane Surfaces by Micro Asperities:
Part I-Performance Analysis
Yongbin Zhang
J. Comput. Theor. Nanosci. 8, 1111-1119 (2011)
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Lubrication Generated Between Two Sliding Parallel Plane Surfaces by Micro Asperities: Part II-Results
Yongbin Zhang
J. Comput. Theor. Nanosci. 8, 1120-1128 (2011)
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Structure and Reactivity of Imidazolin-Azabutadienes
Rosivaldo S. Borges and Oscar A. S. Romero
J. Comput. Theor. Nanosci. 8, 1129-1131 (2011)
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The Eccentric Connectivity Index of an Infinite Class of Dendrimer Nanostars
Shubo Chen, Jianguang Yang, and Fangli Xia
J. Comput. Theor. Nanosci. 8, 1132-1133 (2011)
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Many-Body Interaction and Computer Simulations for the Cohesive Energy of Spherical Metallic Nanocrystals
Esam H. Abdul-Hafidh, T. Barakat, and O. M. Al-Dossary
J. Comput. Theor. Nanosci. 8, 1134-1138 (2011)
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Analysis of Diamondoid Mechanosynthesis Tooltip Pathologies Generated via a Distributed Computing Approach
Damian G. Allis, Brian Helfrich, Robert A. Freitas Jr., and Ralph C. Merkle
J. Comput. Theor. Nanosci. 8, 1139-1161 (2011)
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A Novel Hybrid Method for Gene Selection of Microarray Data
Ronghui Wu, Yun Liu, Renfa Li, Tao Cao, and Guangxue Yue
J. Comput. Theor. Nanosci. 8, 1162-1165 (2011)
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GIAO-B3LYP Low Computational Cost Scaling Factor for 13C NMR Chemical Shifts Calculation
Fabio Luiz Paranhos Costa and Mauro Barbosa de Amorim
J. Comput. Theor. Nanosci. 8, 1166-1172 (2011)
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Effects of Surface Energy on the Mechanical Performance of Nanosized Beams
Gang-Feng Wang
J. Comput. Theor. Nanosci. 8, 1173-1177 (2011)
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A Flagellum Inside a Nanotube Under Temperature Effect
Leandro G. Silva, Abel F. G. Neto, Benedito T. F. Moraes, and Antônio M. J. C. Neto
J. Comput. Theor. Nanosci. 8, 1178-1182 (2011)
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Establishment of a Near-Field Photolithography Processing Experiment Prediction Model and
Parameter Optimization Model
Zone-Ching Lin and Ching-Been Yang
J. Comput. Theor. Nanosci. 8, 1183-1192 (2011)
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The Mathematical Model of Reflection and Refraction of Plane Quasi-Vertical Transverse Waves at
Interface Nano-Composite Smart Material
Abo-el-nour N. Abd-alla, Abdullah Y. Al-Hossain, Faruk A. Farhoud, and Medhat Ibrahim
J. Comput. Theor. Nanosci. 8, 1193-1202 (2011)
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A Novel Binary Representation of RNA Secondary Structure and Its Application
Xuyu Xiang, Dafang Zhang, and Jiaohua Qin
J. Comput. Theor. Nanosci. 8, 1203-1207 (2011)
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Possibility of Semiconductor-Metal Transition in a Quantum Wire
A. Merwyn Jasper D Reuben, Dinesh Varshney, and K. Jayakumar
J. Comput. Theor. Nanosci. 8, 1208-1211 (2011)
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Theoretical Investigation of Carbon Nanotube Binding to DNA in View of Drug Delivery
B. Ghalandari, M. Monajjemi, and F. Mollaamin
J. Comput. Theor. Nanosci. 8, 1212-1219 (2011)
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Focus Modulation of Nanopinholes-Based Plasmonic Lens for Far-Field Imaging
Zhihui Ke, Xiuli Zhou, Yongqi Fu, and Lingjie Yi
J. Comput. Theor. Nanosci. 8, 1220-1225 (2011)
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Multiphysics Substrate Scale Modeling and Analysis of Chemical Vapor Deposition-Based Carbon Nanotube
Fabrication Process
Mahmoud Reza Hosseini, Nader Jalili, and David A. Bruce
J. Comput. Theor. Nanosci. 8, 1226-1241 (2011)
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Tailoring Focal Length of Plasmonic Lenses by Phase Modulation of Emitted Light
Xiuli Zhou, Wu Zhong, Yongqi Fu, and Chongjun Hu
J. Comput. Theor. Nanosci. 8, 1242-1246 (2011)
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Prediction of Protein Functional Class from Pseudo-Amino Acid Composition
Qiangguang Zeng, Guangxue Yue, and Renfa Li
J. Comput. Theor. Nanosci. 8, 1247-1251 (2011)
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Theoretical Investigation of Lindemann's Criterion in the Melting of Two-Dimensional Vortex-Lattice with
Nano Defects
I. M. Obaidat, B. A. Albiss, S. M. Obeidat, and U. Al Khawaja
J. Comput. Theor. Nanosci. 8, 1252-1258 (2011)
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Study of IPR Fullerenes by PI Index
H. Sabaghian-Bidgoli, A. R. Ashrafi, and M. Fathy
J. Comput. Theor. Nanosci. 8, 1259-1263 (2011)
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Computing Topological Indices of Some Types of H-Naphtalenic Nanotubes and Nanotori
Javad Yazdani and Amir Bahrami
J. Comput. Theor. Nanosci. 8, 1264-1266 (2011)
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Effects of Lateral Contact Stiffness and Geometrical Parameters on Torsional Sensitivity of Vibration Modes of
Rectangular Atomic Force Microscopy Cantilevers with Sidewall
S. Bigham, S. Yazdani, and J. Yazdani
J. Comput. Theor. Nanosci. 8, 1267-1273 (2011)
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An Electronic Study for Metronidazole Metabolism
Bruna H. S. Silva, Anna P. S. Mendes, Joyce K. L. Vale, Cristiane S. F. Maia, Enéas A. Fontes, Jr.,
Marcos V. S. Silva, Marta C. Monteiro, and Rosivaldo S. Borges
J. Comput. Theor. Nanosci. 8, 1274-1277 (2011)
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Chirality Transfer from Molecular to Morphological Scales in Quasi-One-Dimensional Nanomaterials:
A Continuum Model
Jian-Shan Wang, Xi-Qiao Feng, Jun Xu, Qing-Hua Qin, and Shou-Wen Yu
J. Comput. Theor. Nanosci. 8, 1278-1287 (2011)
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Half Adder and Half Subtractor Operations by DNA Self-Assembly
Yanfeng Wang, Junwei Sun, Xuncai Zhang, and Guangzhao Cui
J. Comput. Theor. Nanosci. 8, 1288-1295 (2011)
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Subthreshold Current Model for Short-Channel Double-Gate (DG) MOSFETs with a Vertical Gaussian
Doping Profile
Pramod Kumar Tiwari and S. Jit
J. Comput. Theor. Nanosci. 8, 1296-1303 (2011)
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Flagellum Inside the Torus with Temperature Effect
Elson C. Santos, Júlio C. S. Santos, and Antonio M. J. C. Neto
J. Comput. Theor. Nanosci. 8, 1304-1308 (2011)
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Three Dimensional Simulation and Design of FinFETs with 37~18 nm Channel Length
Bor-Wen Liou, Wen-Yong Jiang, and Tron-Min Chen
J. Comput. Theor. Nanosci. 8, 1309-1314 (2011)
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Modeling of Transport in a Glider-Like Composite of GNR/CNT/GNR Junctions
F. Khoeini and A. A. Shokri
J. Comput. Theor. Nanosci. 8, 1315-1320 (2011)
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Electron-Phonon Interaction and Small Polaron Mechanism of Temperature Dependent Resistivity of Zn Nanowires
K. K. Choudhary, D. Prasad, K. Jayakumar, and Dinesh Varshney
J. Comput. Theor. Nanosci. 8, 1321-1324 (2011)
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Buckling Analysis of Single Layered Graphene Sheet Under Biaxial Compression Using Nonlocal Elasticity
Theory and DQ Method
S. C. Pradhan and A. Kumar
J. Comput. Theor. Nanosci. 8, 1325-1334 (2011)
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Spectral Representation of Protein Sequences
Zhujin Zhang, Lin Liu, Jiuyong Li, and Zheng Zhang
J. Comput. Theor. Nanosci. 8, 1335-1339 (2011)
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Optical Rectification and Second Harmonic Generation of Finite and Infinite Semi-Parabolic Quantum Wells
M. J. Karimi, A. Keshavarz, and G. Rezaei
J. Comput. Theor. Nanosci. 8, 1340-1345 (2011)
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A SPECIAL ISSUE
A Special Issue on Foundations of Computational and Theoretical Nanoscience
Guest Editors: Hans De Raedt and Karl Hess
J. Comput. Theor. Nanosci. 8, 887-888 (2011)
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REVIEW
Decoherence and Thermalization of Quantum Spin Systems
Shengjun Yuan
J. Comput. Theor. Nanosci. 8, 889-911 (2011)
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RESEARCH ARTICLES
Quantum Transport via Evanescent Waves in Undoped Graphene
M. I. Katsnelson
J. Comput. Theor. Nanosci. 8, 912-918 (2011)
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Quantum Dynamics Under Time-Dependent External Fields
Seiji Miyashita
J. Comput. Theor. Nanosci. 8, 919-936 (2011)
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An Overview on Single Apparatus Quantum Measurements
B. Mehmani and Th. M. Nieuwenhuizen
J. Comput. Theor. Nanosci. 8, 937-948 (2011)
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Nano-Structures, Quantum Computing and Cellular Automata
Karl Hess
J. Comput. Theor. Nanosci. 8, 949-952 (2011)
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Feynman on Quantum Simulation-Rush to Judgement
D. K. Ferry
J. Comput. Theor. Nanosci. 8, 953-962 (2011)
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Quantum Annealing: An Introduction and New Developments
Masayuki Ohzeki and Hidetoshi Nishimori
J. Comput. Theor. Nanosci. 8, 963-971 (2011)
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Signal Energy in Quantum-Dot Cellular Automata Bit Packets
Enrique Pacis Blair, Mo Liu, and Craig S. Lent
J. Comput. Theor. Nanosci. 8, 972-982 (2011)
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"Dark Materials to Create More Worlds'': On Causality in Classical Physics, Quantum Physics, and Nanophysics
Arkady Plotnitsky
J. Comput. Theor. Nanosci. 8, 983-997 (2011)
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Quantum Mechanics, Probabilities and Mathematical Statistics
V. Kapsa and L. Skála
J. Comput. Theor. Nanosci. 8, 998-1005 (2011)
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Violation of Bell's Inequality and Postulate on Simultaneous Measurement of Compatible Observables
Andrei Khrennikov
J. Comput. Theor. Nanosci. 8, 1006-1010 (2011)
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Extended Boole-Bell Inequalities Applicable to Quantum Theory
Hans De Raedt, Karl Hess, and Kristel Michielsen
J. Comput. Theor. Nanosci. 8, 1011-1039 (2011)
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Double-Slit and Electromagnetic Models to Complete Quantum Mechanics
Jayme De Luca
J. Comput. Theor. Nanosci. 8, 1040-1051 (2011)
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Event-Based Corpuscular Model for Quantum Optics Experiments
Kristel Michielsen, F. Jin, and H. De Raedt
J. Comput. Theor. Nanosci. 8, 1052-1080 (2011)
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A SPECIAL ISSUE
A Special Issue on Multiscale and Multiphysics Simulations for Energy Applications
Guest Editors: Hanqing Jiang, Bin Liu, and Xu Guo
J. Comput. Theor. Nanosci. 8, 801-802 (2011)
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RESEARCH ARTICLES
Incorporation of Hydrogen Molecules into Carbon Nitride Heterofullerenes: An Ab Initio Study
M. Bezi Javan, M. D. Ganji, M. Sabet, and N. Danesh
J. Comput. Theor. Nanosci. 8, 803-807 (2011)
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Investigation of Charge Transfer and Excited State Nature of Two Isophorone Dyes
Yuanzuo Li, Huixing Li, Wenqin Zhang, Xiaohong zhao, Maodu Chen, and Fengcai Ma
J. Comput. Theor. Nanosci. 8, 808-813 (2011)
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Boundary Condition and Strain Effects on the Quality Factors of Single Walled Carbon Nanotubes
Sung Youb Kim and Harold S. Park
J. Comput. Theor. Nanosci. 8, 814-819 (2011)
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A Computational Study on the Transversal Visco-Elastic Properties of Single Walled Carbon
Nanotubes and Their Relation to the Damping Mechanism
Zhong Zhou, Dong Qian, and Min-Feng Yu
J. Comput. Theor. Nanosci. 8, 820-830 (2011)
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Simulated Raman Spectra of Small C_aY_b^0,± (a < 2; b < 2a + 2; Y = H, D, T) Hydrocarbons in the
Fusion Devices
Xue Jiang, Jingcheng Xu, and Jijun Zhao
J. Comput. Theor. Nanosci. 8, 831-841 (2011)
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Optimal Parameters Assessment of Proton Exchange Membrane Fuel Cell on Module-Robot
P. S. Pa
J. Comput. Theor. Nanosci. 8, 847-852 (2011)
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Hydrogenation of Carbon Nanotubes: Roles of Symmetry and Strain
Kun Xue and Zhiping Xu
J. Comput. Theor. Nanosci. 8, 853-857 (2011)
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First-Principles Study on Alloying Effect on the Migration Barrier of He in Titanium Ditritide
Y. X. Wu, X. Liu, X. H. Yin, X. F. Ma, and Qian-Feng Zhang
J. Comput. Theor. Nanosci. 8, 858-861 (2011)
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First-Principles Investigations on the Feasibility of the Boron Nitride Fullerene-Like
B₃₆N₃₆ for Natural Gas Storage
M. D. Ganji, M. Ghorbanzadeh, M. Negaresh, A. A. Najafi, M. Rezvani, and M. Shokry
J. Comput. Theor. Nanosci. 8, 862-866 (2011)
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Critical Thickness and the Size-Dependent Curie Temperature of BaTiO₃ Nanofilms
Yihui Zhang, Yongliang Sang, Bin Liu, and Daining Fang
J. Comput. Theor. Nanosci. 8, 867-872 (2011)
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Multiscale Modeling of the Interfacial Fracture Behavior in the Sn-Cu₆ Sn₅-Cu System
Huiyang Fei, Kyle Yazzie, Jason Williams, Nikhilesh Chawla, and Hanqing Jiang
J. Comput. Theor. Nanosci. 8, 873-880 (2011)
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Energy Dissipation of Nanoporous MFI Zeolite Under Dynamic Crushing
Baoxing Xu, Ling Liu, Qulan Zhou, Yu Qiao, Jun Xu, Yibing Li, Mooho Tak, Taehyo Park, and Xi Chen
J. Comput. Theor. Nanosci. 8, 881-886 (2011)
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RESEARCH ARTICLES
Theoretical and Computational Modeling of Functionalization Energy for Molecular and
Periodical Models of Linear Conjugated Transpolyacetyle
Massimo Fusaro
J. Comput. Theor. Nanosci. 8, 521-528 (2011)
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Lattice Thermal Conductivity in SiC Nanotubes, Nanowires and Nanofilaments:
A Molecular Dynamics Study
John W. Lyver, IV and Estela Blaisten-Barojas
J. Comput. Theor. Nanosci. 8, 529-534 (2011)
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Structural Stability Analysis of Small Platinum Nanoclusters
Prabodh Sahai Saxena, Pankaj Srivastava, Ashwini Kr. Srivastava, and Sanjai Singh
J. Comput. Theor. Nanosci. 8, 535-540 (2011)
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Properties of Charged Defects on Unidimensional Polymers
José Fernando P. Leal, Shirsley J. S. da Silva, Ewerton R. Granhen, Carlos A. B. Silva Junior,
Marcos Dionízio Moreira, Carlos A. Achete, Rodrigo B. Capaz, and Jordan Del Nero
J. Comput. Theor. Nanosci. 8, 541-549 (2011)
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Structure-Activity Relationship of Bergenin and Acetylated Derivatives as Anti-Inflammatory
Jaqueline C. M. Borges, Lourivaldo S. Santos, Pergentino J. C. Sousa, and Rosivaldo S. Borges
J. Comput. Theor. Nanosci. 8, 550-553 (2011)
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Broadcasting Algorithms of Carbon Nanotubes
Paul Manuel and Mohsen Guizani
J. Comput. Theor. Nanosci. 8, 554-562 (2011)
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Simulation of the Interaction of Carbon Nanotubes and External Flow
M. Bahrami, R. Kalantarinejad, M. J. Aghaei, and N. Azadi
J. Comput. Theor. Nanosci. 8, 563-567 (2011)
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On the Structures of Non-Stoichiometric Ga_nAs_m Clusters (5 n < + m < 8)
Rémi Marchal, Philippe Carbonnière, and Claude Pouchan
J. Comput. Theor. Nanosci. 8, 568-578 (2011)
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Solving River Crossing Puzzle in the DNA Tile Self-Assembly Model
Yanfeng Wang, Yan Zheng, Xuncai Zhang, and Guangzhao Cui
J. Comput. Theor. Nanosci. 8, 579-585 (2011)
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Ultraviolet Spectroscopy and Density of State for Free Oseltamivir in Aqueous Solution by
Computational Methods
Gunar Vingre da Silva Mota, Fabio Luiz Paranhos Costa, Sidnei Bessa de Oliveira Fernandes,
Mauro Barbosa de Amorim, and Antônio M. J. C. Neto
J. Comput. Theor. Nanosci. 8, 586-592 (2011)
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Topological Study of HC₅C₇[4p,8] Carbon Nanotubes
Ali Reza Ashrafi and Modjtaba Ghorbani
J. Comput. Theor. Nanosci. 8, 593-597 (2011)
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On the Apparently Fixed Dispersion of Size Distributions
Sascha Vongehr, Shaochun Tang, and Xiangkang Meng
J. Comput. Theor. Nanosci. 8, 598-602 (2011)
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Two Interacting Circular Nano-Holes with Interface Effect Under Anti-Plane Shear Waves
Xue-Qian Fang, Le-Le Zhang, and Jin-Xi Liu
J. Comput. Theor. Nanosci. 8, 603-608 (2011)
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Theoretical Study of the Structural Stability and the Electronic Properties of Al_mH_n Clusters
J. I. Martínez, F. Calle-Vallejo, V. Tripkovic, and J. A. Alonso
J. Comput. Theor. Nanosci. 8, 609-615 (2011)
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Equilibrium Configurations for Carbon Nano-Stacked Cups
Duangkamon Baowan, Barry J. Cox, and James M. Hill
J. Comput. Theor. Nanosci. 8, 616-623 (2011)
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Quantum Mechanical Investigations of Photosynthetic Systems of Artificial Minimal Cells
Based on 8-Oxo-Guanine-Ru(bipyridine)3²⁺
Arvydas Tamulis
J. Comput. Theor. Nanosci. 8, 624-636 (2011)
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The Electronic Properties of SiC Graphene-Like: Doped and No-Doped Case
E. Chigo Anota, H. Hernández Cocoletzi, A. Bautista Hernández, and J. F. Sánchez Ramírez
J. Comput. Theor. Nanosci. 8, 637-641 (2011)
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Substitutional Patterns in Boron Doped Heterofullerenes C_{60 - n}B_n (n = 1-12)
Isha Garg, Hitesh Sharma, Keya Dharamvir, and V. K. Jindal
J. Comput. Theor. Nanosci. 8, 642-655 (2011)
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The Hosoya Index of an Infinite Class of Dendrimer Nanostars
Shubo Chen
J. Comput. Theor. Nanosci. 8, 656-658 (2011)
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An Image Encryption Scheme Based on Nonlinear Wavelet Function
Guodong Ye
J. Comput. Theor. Nanosci. 8, 659-663 (2011)
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RNA Dynamics Probed by Single-Molecule Fluorescence Resonance Energy Transfer Studies
Shuying Bao, Guangcun Shan, and Xinghai Zhao
J. Comput. Theor. Nanosci. 8, 664-669 (2011)
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A Theoretical Study of Paracetamol Acyl-Ether Derivatives
Joseane R. Silva, Luana M. D. Queiroz, Auriekson N. Queiroz, Pergentino J. C. Souza, and
Rosivaldo S. Borges
J. Comput. Theor. Nanosci. 8, 670-675 (2011)
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Implementation of Classical Logic Gates at Nano-Scale Level Using Magnetic
Quantum Rings: A Theoretical Study
Santanu K. Maiti
J. Comput. Theor. Nanosci. 8, 676-693 (2011)
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Investigation of Metal and Non-Metal Doped Dimer and Trimer C₆₀ Fullerene
Chains as Prospective Spin Cluster Qubits
S. Polad and S Erkoç
J. Comput. Theor. Nanosci. 8, 694-706 (2011)
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Numerical Solution and Statistically Analysis for Estimation of the Heat Flux in Thermal
Scanning Process Using Conjugate Gradient Method
S. Yazdani, S. Bigham, and J. Yazdani
J. Comput. Theor. Nanosci. 8, 707-712 (2011)
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Prediction of Silver Nanoparticles Diameter Synthesized Through the Tollens
Process by Using Artificial Neural Networks
A. Shams Nateri, S. Dadvar, A. Oroumei, and E. Ekrami
J. Comput. Theor. Nanosci. 8, 713-716 (2011)
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Molecular Dynamic Simulations of Forming Graphene Nanoribbons from
Single-Wall Carbon Nanotubes
Rongjun Zhang and Hanqing Jiang
J. Comput. Theor. Nanosci. 8, 717-721 (2011)
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Atomistic Field Theory of Nano Energy Harvesting
James Chen
J. Comput. Theor. Nanosci. 8, 722-728 (2011)
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Half-Metallicity in Doped Armchair Graphene Nanoribbons-An Ab Initio Approach
Satyendra Singh Chauhan, Pankaj Srivastava, and Rajnish Kurchania
J. Comput. Theor. Nanosci. 8, 729-735 (2011)
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All-Pentagonal Face Multi Tori
Mircea V. Diudea and Aleksandar Ilic
J. Comput. Theor. Nanosci. 8, 736-739 (2011)
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Electronic Transport in Bi-Asymmetric T-Shaped Graphene Nanoribbons
Farhad Khoeini and Ali A. Shokri
J. Comput. Theor. Nanosci. 8, 740-745 (2011)
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Seebeck Coefficient in Bulk and Quantum Wells of Non-Parabolic Kane-Type Materials
Sitangshu Bhattacharya and Ramesh Chandra Mallik
J. Comput. Theor. Nanosci. 8, 746-756 (2011)
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Site Effect of Impurity Based on a Bimolecular Tunneling Rectifier
Ming Qiu and K. M. Liew
J. Comput. Theor. Nanosci. 8, 757-762 (2011)
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Exchange and Correlation Effect of Hydrogen Chemisorption on Nano V(100) Surface:
A DFT Study by Generalized Gradient Approximation (GGA)
K. Bakhshi, F. Mollaamin, and M. Monajjemi
J. Comput. Theor. Nanosci. 8, 763-768 (2011)
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Quantum Ring Models and Action-Angle Variables
Stefano Bellucci, Armen Nersessian, Armen Saghatelian, and Vahagn Yeghikyan
J. Comput. Theor. Nanosci. 8, 769-775 (2011)
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The Effect of Pinhole Defect on Dynamic Characteristics of Single Walled Carbon Nanotube
Based Mass Sensors
Anand Y. Joshi, Satish C. Sharma, and S. P. Harsha
J. Comput. Theor. Nanosci. 8, 776-782 (2011)
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Effects of Vacancy Defects on Mechanical Properties of Graphene/Carbon Nanotubes:
A Numerical Modeling
Davood Askari and Mehrdad N. Ghasemi-Nejhad
J. Comput. Theor. Nanosci. 8, 783-794 (2011)
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COMMUNICATION
Predicted Anomalous Behavior of C₆₀ Fullerenes on Graphite at Low Temperature:
A New Hindered Cooperative Rotational Transition
M. W. Roth, M. K. Balasubramanya, P. Bergmann, M. Karl, M. J. Connolly, and Paul A. Gray
J. Comput. Theor. Nanosci. 8, 795-799 (2011)
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A SPECIAL ISSUE
A Special Issue on Novel Biochemical and Physical Information Processing Systems
Guest Editors: Vladimir Privman and Dmitry Solenov
J. Comput. Theor. Nanosci. 8, 293-294 (2011)
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REVIEWS
Topics in Reaction-Diffusion Computers
Andrew Adamatzky
J. Comput. Theor. Nanosci. 8, 295-303 (2011)
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Membrane Computing-A Quick Survey
Gheorghe Pàun
J. Comput. Theor. Nanosci. 8, 304-312 (2011)
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Thin Film Electrochemical Memristive Systems for Bio-Inspired Computation
Victor Erokhin and M. P. Fontana
J. Comput. Theor. Nanosci. 8, 313-330 (2011)
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Exact Analysis of Disentanglement for Continuous Variable Systems and Application to a
Two-Body System at Zero Temperature in an Arbitrary Heat Bath
G. W. Ford and R. F. O'Connell
J. Comput. Theor. Nanosci. 8, 331-337 (2011)
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Inelastic Effects in the Electron Transport Through Molecular Junctions: A Brief Overview
Natalya A. Zimbovskaya
J. Comput. Theor. Nanosci. 8, 338-347 (2011)
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Symmetry, Universality and Critical Transitions in the Network Models
Victor Kagalovsky
J. Comput. Theor. Nanosci. 8, 348-355 (2011)
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Materials with Built-in Logic
Sergiy Minko, Evgeny Katz, Mikhail Motornov, Ihor Tokarev, and Marcos Pita
J. Comput. Theor. Nanosci. 8, 356-364 (2011)
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Radiative Recombination and Migration Effects in Ensembles of Si Nanocrystals: Towards
Controllable Nonradiative Energy Transfer
Vladimir A. Belyakov and Vladimir A. Burdov
J. Comput. Theor. Nanosci. 8, 365-374 (2011)
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Implications of Disentanglement and Locality Induction for Quantum Information Processing
Gregg Jaeger
J. Comput. Theor. Nanosci. 8, 375-382 (2011)
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Cellular Computation Realizing Intelligence of Slime Mold Physarum Polycephalum
Yoshimi Tanaka and Toshiyuki Nakagaki
J. Comput. Theor. Nanosci. 8, 383-390 (2011)
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Localized State in Quantum Point Contacts: Possible Qubit Implementation?
Lev Mourokh, Pavel Ivanushkin, and Jonathan Bird
J. Comput. Theor. Nanosci. 8, 391-400 (2011)
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Biocatalytic Paradigms for Unconventional Information Processing
Marcos Pita and Evgeny Katz
J. Comput. Theor. Nanosci. 8, 401-408 (2011)
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AND Logic Gates Based on Small Molecules with Chemical Inputs and Luminescence Output
A. Prasanna de Silva
J. Comput. Theor. Nanosci. 8, 409-421 (2011)
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Perfect State Transfer in Quantum Walks on Graphs
Vivien M. Kendon and Christino Tamon
J. Comput. Theor. Nanosci. 8, 422-433 (2011)
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Chemistry at a Higher Level of Abstraction
Milan N. Stojanovic and Darko Stefanovic
J. Comput. Theor. Nanosci. 8, 434-440 (2011)
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Memory Circuit Elements: From Systems to Applications
Yu. V. Pershin, J. Martinez-Rincon, and M. Di Ventra
J. Comput. Theor. Nanosci. 8, 441-448 (2011)
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Engineering of Exchange Interactions in Electrostatic Quantum Dots for Information Processing
D. V. Melnikov and J.-P. Leburton
J. Comput. Theor. Nanosci. 8, 449-463 (2011)
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RESEARCH ARTICLES
Does Organic Spintronics Have a Role in Quantum Information Processing?
S. Bandyopadhyay and M. Cahay
J. Comput. Theor. Nanosci. 8, 464-470 (2011)
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How Symmetry and Order Affect Logic Operations and Computation in Catalytic Chemical Networks
Nathaniel Wagner, Samaa Alesebi, and Gonen Ashkenasy
J. Comput. Theor. Nanosci. 8, 471-480 (2011)
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Cold Atom Qubits
Dmitry Solenov and Dmitry Mozyrsky
J. Comput. Theor. Nanosci. 8, 481-489 (2011)
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Error-Control and Digitalization Concepts for Chemical and Biomolecular Information
Processing Systems
Vladimir Privman
J. Comput. Theor. Nanosci. 8, 490-502 (2011)
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Measurement of a Quantum State of a Single Molecule Magnet with Magnetic Resonance
Force Microscopy
Thomas Fan and Vladimir I. Tsifrinovich
J. Comput. Theor. Nanosci. 8, 503-508 (2011)
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COMMUNICATIONS
Computational Myths and Mysteries That Have Grown Around Microtubule in the Last Half a
Century and Their Possible Verification
Satyajit Sahu, Subrata Ghosh, Daisuke Fujita, and Anirban Bandyopadhyay
J. Comput. Theor. Nanosci. 8, 509-515 (2011)
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On Possible Use of Capped Quantum Dots in Memory Devices
M. Dokukin, N. Guz, R. Olac-Vaw, V. Mitin, and I. Sokolov
J. Comput. Theor. Nanosci. 8, 516-519 (2011)
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ERRATUM
Spin Information Achieved by Energy Transfer Via Optical Near Fields Between Quantum
Dots and Its Robustness
(Journal of Computational and Theoretical Nanoscience, Vol. 7, pp. 1707-1716 (2010))
A. Sato, F. Minami, H. Hori, and K. Kobayashi
J. Comput. Theor. Nanosci. 8, (i) (2011)
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REVIEW
Structural Stability of Clean, Passivated, and Partially Dehydrogenated Cuboid and Octahedral
Nanodiamonds Up to 2 Nanometers in Size
Denis Tarasov, Ekaterina Izotova, Diana Alisheva, Natalia Akberova, and Robert A. Freitas Jr.
J. Comput. Theor. Nanosci. 8, 147-167 (2011)
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RESEARCH ARTICLES
Joint Simulations of Confined Diffusion Inside Nanotubules
Don Liu, Yuri Lvov, and Weizhong Dai
J. Comput. Theor. Nanosci. 8, 168-178 (2011)
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Transmission Between Translational and Rotational Motions in Double-Walled Carbon Nanotubes
I. Salehinia and S. N. Medyanik
J. Comput. Theor. Nanosci. 8, 179-188 (2011)
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Effect of Confining Potential on the Diamagnetic Susceptibility of a Donor in a Spherical Quantum Dot
A. Merwyn Jasper D. Reuben, Dinesh Varshney, and K. Jayakumar
J. Comput. Theor. Nanosci. 8, 189-193 (2011)
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Modeling Comminution Processes in Ball Mills as a Canonical Ensemble
G. K. Sunnardianto, Muhandis, F. N. Diana, and L. T. Handoko
J. Comput. Theor. Nanosci. 8, 194-200 (2011)
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Structural Stability and Transformation of Pt-Ru Bimetallic Nano Clusters: A Study of Modified Embedded
Atom Method
H. B. Liu, E. Sosa, G. Carbajal-De la Torre, and M. A. Espinosa-Medina
J. Comput. Theor. Nanosci. 8, 201-206 (2011)
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Increasing of Homogeneity of Dopant Distribution in a p-n-Junction by Using an Overlayers
E. L. Pankratov
J. Comput. Theor. Nanosci. 8, 207-209 (2011)
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Simultaneous Effects of Magnetic Field and Electric Field Induced Donor Binding Energies of a Hydrogenic
Impurity in a Corrugated Quantum Well
A. Vanitha, A. John Peter, and Changkyoo Yoo
J. Comput. Theor. Nanosci. 8, 210-215 (2011)
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An Electronic Study of Biphenyl Derivatives Chlorinated
Bruna H. S. Silva, Tainá G. Barros, Carlos A. L. Barros, José L. F. Vieira, and Rosivaldo S. Borges
J. Comput. Theor. Nanosci. 8, 216-219 (2011)
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The Wiener, Szeged, and PI Indices of a Dendrimer Nanostar
M. H. Khalifeh, M. R. Darafsheh, and H. Jolany
J. Comput. Theor. Nanosci. 8, 220-223 (2011)
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Effects of Solid-Liquid Wettability on Nanoejection Process: A Molecular Dynamics Simulation
Chi-Fu Dai and Rong-Yeu Chang
J. Comput. Theor. Nanosci. 8, 224-230 (2011)
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Effect of Surface Stress on the Deformation of an Elastic Half-Plane Containing a Nano-Cylindrical Hole
Under a Surface Loading
Amir K. Miri, Reza Avazmohammadi, and Fuqian Yang
J. Comput. Theor. Nanosci. 8, 231-236 (2011)
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Some Studies of Atomic and Molecular Bound States on a Nanosphere
M. L. Glasser
J. Comput. Theor. Nanosci. 8, 237-242 (2011)
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Interaction of Short Homopeptides of Glycine and L-Alanine with Fullerene C₆₀
Vladimir A. Basiuk and Maria Bassiouk
J. Comput. Theor. Nanosci. 8, 243-252 (2011)
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Topological Effect on Spin Transport in a Magnetic Quantum Wire: Green's Function Approach
Moumita Dey, Santanu K. Maiti, and S. N. Karmakar
J. Comput. Theor. Nanosci. 8, 253-260 (2011)
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Single Wall Carbon Nanotube Field Effect Transistor Model
Mohammad Taghi Ahmadi, Razali Ismail, Zaharah Johari, and Jeffrey Frank Webb
J. Comput. Theor. Nanosci. 8, 261-267 (2011)
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Characterization Approach to Modified Glassy Carbon Electrode-Nanofilm System Within
Multidimensional Scaling
J. A. Tenreiro Machado, Dumitru Baleanu, Erdal Dinç, Ali Osman Solak, Haslet Ek?i, and Remziye Güzel
J. Comput. Theor. Nanosci. 8, 268-273 (2011)
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A DNA Computer Model to Solve Integer Programming Problem
Fang Gang and Zhu Yan
J. Comput. Theor. Nanosci. 8, 274-281 (2011)
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Numerical Study on Gas Flow Through a Micro-Nano Porous Media Based on Special Functions
Alireza Rezaei, Kourosh Parand, and Ali Pirkhedri
J. Comput. Theor. Nanosci. 8, 282-288 (2011)
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Nanoscale Control of Electronic Transport
P. Aruna Priya, C. Preferencial Kala, C. Muthamizhchelvan, and John D. Thiruvadigal
J. Comput. Theor. Nanosci. 8, 289-292 (2011)
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RESEARCH ARTICLES
Fracture Properties of Defective Carbon Nanorings
Cong Feng and K. M. Liew
J. Comput. Theor. Nanosci. 8, 1-7 (2011)
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Control of Nanoparticle Growth in High Temperature Reactor: Application of Reduced Population
Balance Model II
Oluranti Sadiku and Andrei Kolesnikov
J. Comput. Theor. Nanosci. 8, 8-16 (2011)
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The General Connectivity Indices of Nanotubes
Shubo Chen, Weijun Liu, and Fangli Xia
J. Comput. Theor. Nanosci. 8, 17-20 (2011)
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Stabilization of Excitonic Hamiltonian
V. Sajfert, Lj. Maškovic, V. M. Zoric, and B. S. Tošic
J. Comput. Theor. Nanosci. 8, 21-26 (2011)
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A Wideband Absorption Enhancement for P3HT: PCBM Addressing by Silver Nanosphere Array
Liangping Xia, Hongtao Gao, Haofei Shi, Xiaochun Dong, and Chunlei Du
J. Comput. Theor. Nanosci. 8, 27-30 (2011)
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Theoretical Calculation of Shrinking and Stretching in Bond Structure of Monolayer Graphite Flake via Hole
Doping Treatment
Osman Özsoy and K. Harigaya
J. Comput. Theor. Nanosci. 8, 31-37 (2011)
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Fully Relativistic 4-Components DFT Investigation on Bonding and Dissociation Energy of HgO
Luiz Guilherme M. de Macedo, Cibele A. Oliveira, Jose S. Gomes, Claudio Nahum Alves, Aguinaldo R. de Souza,
André S. Pimentel, and Ricardo Gargano
J. Comput. Theor. Nanosci. 8, 38-42 (2011)
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Sensing Architecture for Multi-Level Cells of Polymer Memory
Jung-Ha Kim, Jong-Hoon Lee, and Sang-Sun Lee
J. Comput. Theor. Nanosci. 8, 43-46 (2011)
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An Improvement of Analytical I-V Model for Surrounding-Gate MOSFETs
Abedalkhem Alkoash, Rajko M. Šašic, Stanko M. Ostojic, and Petar M. Lukic
J. Comput. Theor. Nanosci. 8, 47-50 (2011)
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Computational Modelling of Stability of a Single-Walled Carbon Nanotube Modelled as a Non-Linear Donnell
Shallow Shell Conveying a Non-Viscous Flowing Fluid
H. Jannesari, H. Rafii-Tabar, and M. D. Emami
J. Comput. Theor. Nanosci. 8, 51-59 (2011)
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Signal Transmission in Carbon Nanotube Arrays
Aditya A. Saha and J. A. Tuszynski
J. Comput. Theor. Nanosci. 8, 60-68 (2011)
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Structural and Electronic Properties of Dipyridamole and Derivatives
R. S. Borges, M. Castilho, M. Tabak, A. B. F. da Silva, and C. N. Alves
J. Comput. Theor. Nanosci. 8, 69-73 (2011)
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Computational Study of 3,4-Diphenyl-4-(4-Metoxyphenyl)-1,2,5-Thiadiazoline 1,1-Dioxide for Molecular
Photovoltaics
Norma Flores-Holguín, Luz María Rodríguez-Valdez, and Daniel Glossman-Mitnik
J. Comput. Theor. Nanosci. 8, 74-79 (2011)
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Protein Function Prediction using a Double Weighted K-Nearest Neighbor Method
Weifeng Jia, Bo Liao, Dachao Li, and Jiawei Luo
J. Comput. Theor. Nanosci. 8, 80-83 (2011)
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An Analytical Transport Model for Nanomaterials
P. Di Sia
J. Comput. Theor. Nanosci. 8, 84-89 (2011)
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Optical Excitations of Finite Length Graphene Nanoribbons
M. Berahman and M. H. Sheikhi
J. Comput. Theor. Nanosci. 8, 90-96 (2011)
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Stability and Reactivity of Benzopyranones Derivatives
Dayvison D. Lima, Juliana P. Oliveira, Marcio E. P. Seabra, Marcieni A. Andrade, Ana C. Baetas, and Rosivaldo S. Borges
J. Comput. Theor. Nanosci. 8, 97-101 (2011)
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Order Neighborhood Searches for DNA Coding
Qian Wang, Qiang Zhang, and Xiaopeng Wei
J. Comput. Theor. Nanosci. 8, 102-104 (2011)
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Integer Factorization Based on the Tile Assembly Model
Yufang Huang, Jin Xu, and Zhen Cheng
J. Comput. Theor. Nanosci. 8, 105-116 (2011)
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Spectroscopic Analyses of Cellulose and Chitosan: FTIR and Modeling Approach
Medhat Ibrahim, Osama Osman, and Abdel Aziz Mahmoud
J. Comput. Theor. Nanosci. 8, 117-123 (2011)
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The Effects of Bio-Fluid on the Internal Motion of DNA
A. Sulaiman and L. T. Handoko
J. Comput. Theor. Nanosci. 8, 124-132 (2011)
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Explicit Relation Between Different Versions of Wiener Number
Ali Iranmanesh, Omid Khormali, and Ali Ahmadi
J. Comput. Theor. Nanosci. 8, 133-138 (2011)
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Electrical Characterization of Titanium Met-Cars Nanowires: Theoretical Study
M. D. Ganji
J. Comput. Theor. Nanosci. 8, 139-145 (2011)
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