Journal of Computational and Theoretical Nanoscience

 Volume 7, Number 12 ( December 2010) pp.2479-2649


A SPECIAL ISSUE
A Special Issue on Nanoscale Simulation of Molecular and Biological Systems
Guest Editor: Umberto Ravaioli
J. Comput. Theor. Nanosci. 7, 2479-2480 (2010)
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REVIEWS
Capturing Functional Motions of Membrane Channels and Transporters with Molecular Dynamics Simulation
Saher Afshan Shaikh, Po-Chao Wen, Giray Enkavi, Zhijian Huang, and Emad Tajkhorshid
J. Comput. Theor. Nanosci. 7, 2481-2500 (2010)
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Fourier Transform Light Scattering (FTLS) of Cells and Tissues
Huafeng Ding, Zhuo Wang, Freddy T. Nguyen, Stephen A. Boppart, Larry J. Millet, Martha U. Gillette, Jianming Liu,
Marni D. Boppart, and Gabriel Popescu

J. Comput. Theor. Nanosci. 7, 2501-2511 (2010)
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Simulation of Inelastic Scattering in Molecular Junctions: Application to Inelastic Electron Tunneling Spectroscopy
and Dissipation Effects

Alessio Gagliardi, Giuseppe Romano, Alessandro Pecchia, and Aldo Di Carlo
J. Comput. Theor. Nanosci. 7, 2512-2526 (2010)
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RESEARCH ARTICLES
Ternary Mixtures of Palmitoyl-Sphingomyelin, Cholesterol, and Palmitoyl-Oleoyl Phosphatidylcholine:
A Multiscale Simulation Study

Guijun Zhao, Paul Tumaneng, and H. L. Scott
J. Comput. Theor. Nanosci. 7, 2527-2537 (2010)
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Function of the Acetylcholine Receptor at the Atomic Scale
Hai-Long Wang and Steven M. Sine
J. Comput. Theor. Nanosci. 7, 2538-2542 (2010)
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Brownian Dynamics Study of the Effects of Dielectric Constant on Conductivity of Porins
A. Smolyanitsky, S. Aboud, and M. Saraniti
J. Comput. Theor. Nanosci. 7, 2543-2546 (2010)
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A Study of Brownian Dynamics Simulation for Ion Transport Through a Transmembrane Pore with a
Molecular Adapter

Kyu Il Lee, Reza Toghraee, Eric Jakobsson, and Umberto Ravaioli
J. Comput. Theor. Nanosci. 7, 2547-2554 (2010)
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Simulation of Ion Conduction in -Hemolysin Nanopores with Covalently Attached -Cyclodextrin Based on
Boltzmann Transport Monte Carlo Model

Reza Toghraee, Kyu-Il Lee, David Papke, See-Wing Chiu, Eric Jakobsson, and Umberto Ravaioli
J. Comput. Theor. Nanosci. 7, 2555-2567 (2010)
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Conformation of DNA Between Gold Surfaces
One-Sun Lee and George C. Schatz
J. Comput. Theor. Nanosci. 7, 2568-2573 (2010)
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Calculation of Fluctuations in Boundary Layers of Nanowire Field-Effect Biosensors
Clemens Heitzinger, Yang Liu, Norbert J. Mauser, Christian Ringhofer, and Robert W. Dutton
J. Comput. Theor. Nanosci. 7, 2574-2580 (2010)
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Identification of Chirality-Dependent Adsorption Kinetics in Single-Walled Carbon Nanotube Reaction Networks
Kejia Chen, Nitish Nair, Michael S. Strano, and Richard D. Braatz
J. Comput. Theor. Nanosci. 7, 2581-2585 (2010)
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Simulation Study of the Silicon Oxide and Water Interface
Christian D. Lorenz, Mesfin Tsige, Susan B. Rempe, Michael Chandross, Mark J. Stevens, and Gary S. Grest
J. Comput. Theor. Nanosci. 7, 2586-2601 (2010)
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Ab Initio Study of Hydrogen Storage in Water Clathrates
Jacalyn S. Clawson, Randall T. Cygan, Todd M. Alam, Kevin Leung, and Susan B. Rempe
J. Comput. Theor. Nanosci. 7, 2602-2606 (2010)
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Table of Contents to Volume 7, Number 1-12, 2010
J. Comput. Theor. Nanosci. 7, 2607-2620 (2010)
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Author Index to Volume 7, Number 1-12, 2010
J. Comput. Theor. Nanosci. 7, 2621-2639 (2010)
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Subject Index to Volume 7, Number 1-12, 2010
J. Comput. Theor. Nanosci. 7, 2640-2649 (2010)
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 Volume 7, Number 11 ( November 2010) pp.2225-2477

REVIEWS
Density Functional Theory Study on Electric Field Induced Structure Variations, Binding and Catalytic
Properties in Several Low-Dimensional Systems

W. Liu and Q. Jiang
J. Comput. Theor. Nanosci. 7, 2225-2261 (2010)
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Numerical Simulation for Nanoparticle Growth in Flame Reactor and Control of Nanoparticles
Oluranti Sadiku and Emmanuel Rotimi Sadiku
J. Comput. Theor. Nanosci. 7, 2262-2270 (2010)
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RESEARCH ARTICLES
Conductive and Convective Types Behaviors at Nano-Time Scales
I. Casian-Botez, M. Agop, P. Nica, V. Paun, and G. V. Munceleanu
J. Comput. Theor. Nanosci. 7, 2271-2280 (2010)
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Solitonic Ionic Currents Along Microtubules
M. V. Sataric, D. Sekulic, and M. Živanov
J. Comput. Theor. Nanosci. 7, 2281-2290 (2010)
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Focusing Local Electric Field Inside and Outside Gold Nanotube by Choosing the Incident Frequency
Zhu Jian, Li JianJun, and Zhao Junwu
J. Comput. Theor. Nanosci. 7, 2291-2296 (2010)
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Ab Initio Study of Structural and Electronic Properties of AlnN (n = 1-22) Clusters
Hitesh Sharma, Isha Garg, Keya Dharamvir, and V. K. Jindal
J. Comput. Theor. Nanosci. 7, 2297-2307 (2010)
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Application of the Double Parabolic Quantum Well in a Laser
Martín E. Molinar-Tabares and Germán Campoy-Güereña
J. Comput. Theor. Nanosci. 7, 2308-2313 (2010)
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Chromatic Polynomials of Some Dendrimers
Saeid Alikhani and Mohammad A. Iranmanesh
J. Comput. Theor. Nanosci. 7, 2314-2316 (2010)
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Axial Force Change Due to Axial-Strain-Induced Torsional Rotation of Single-Walled Carbon Nanotubes
Jeong Won Kang, Ki-Sub Kim, Sung Young Park, Hyunjung Kim, Ho Jung Hwang, and Young Gyu Choi
J. Comput. Theor. Nanosci. 7, 2317-2321 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

A Density Functional Theory Study of Porphyrin-Pyridine-Fullerene Triad ZnTPP · Py · C60
Vladimir A. Basiuk, Oscar Amelines-Sarria, and Yevgeniy Kolokoltsev
J. Comput. Theor. Nanosci. 7, 2322-2330 (2010)
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Dynamic Admittance and Equivalent Circuit Model of Graphene Nanoribbon Interconnects at THz Frequencies
Zhidong Chen, Jinyu Zhang, and Zhiping Yu
J. Comput. Theor. Nanosci. 7, 2331-2337 (2010)
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Buckling of Graphene Layers Supported by Rigid Substrates
J. Patrick Wilber
J. Comput. Theor. Nanosci. 7, 2338-2348 (2010)
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Theoretical Estimation of Length Dependent In-Plane Stiffness of Single Walled Carbon Nanotubes Using the
Nonlocal Elasticity Theory

Saggam Narendar and Srinivasan Gopalakrishnan
J. Comput. Theor. Nanosci. 7, 2349-2354 (2010)
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Membrane Systems with Peripheral Proteins Using Cell Division
Lei Xu, Chun Lu, and Zheng Zhang
J. Comput. Theor. Nanosci. 7, 2355-2359 (2010)
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Toward Mechanosynthesis of Diamondoid Structures: VI. Quantum-Chemical Molecular Dynamics Comparison of
Conditions for the STM Tip Driven Mechanosynthesis on Hydrogenated Si(111), Si(110) and Si(100) Surfaces

Aleksander Herman
J. Comput. Theor. Nanosci. 7, 2360-2366 (2010)
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Buckling Temperature of a Single-Walled Carbon Nanotube Using Nonlocal Timoshenko Beam Model
Win-Jin Chang and Haw-Long Lee
J. Comput. Theor. Nanosci. 7, 2367-2371 (2010)
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Factoring Integers in the Tile Assembly Model
Zhihua Chen, Xiaolong Shi, Jin Xu, and Zheng Zhang
J. Comput. Theor. Nanosci. 7, 2372-2385 (2010)
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Alternative Control of Nanoparticles Dispersity in High-Temperature Flow Reactors: Effect of Wall Temperature,
and Cold Gas Quenching

Moropeng Mapula Lucey and Kolesnikov Andrei
J. Comput. Theor. Nanosci. 7, 2386-2392 (2010)
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A Simple Formula for Evaluation of the Condensed Fukui's Function in Armchair Molecular Models of Nanotubes
Massimo Fusaro
J. Comput. Theor. Nanosci. 7, 2393-2400 (2010)
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The Effect of Boundary Conditions on a Theoretical Analysis of Axial Buckling in a Chiral
Single-Wall Carbon Nanotube

Hu Zhili and Guo Xingming
J. Comput. Theor. Nanosci. 7, 2401-2404 (2010)
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Nano-Scale Analysis of Curved Single Walled Carbon Nanotubes for In-Plane Loading
Aysegül Tepe
J. Comput. Theor. Nanosci. 7, 2405-2410 (2010)
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The Vertex PI and Szeged Polynomials of an Infinite Family of Fullerenes
Modjtaba Ghorbani and Mahsa Hemmasi
J. Comput. Theor. Nanosci. 7, 2411-2415 (2010)
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Investigation of the Stochastic Dynamics of Kinesin Nanomotor Protein: Effect of Average Potential Value
Masumeh Foroutan
J. Comput. Theor. Nanosci. 7, 2416-2427 (2010)
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A SPECIAL SECTION
Chaos and Transport at the Nanoscale
Guest Editors: Jiangbin Gong and John R. H. Xie
J. Comput. Theor. Nanosci. 7, 2428-2429 (2010)
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REVIEW
Driven Nonlinear Dynamics of Magnetic Nanostructures: A Semiclassical Perspective
L. Chotorlishvili, P. Schwab, Z. Toklikishvili, and J. Berakdar
J. Comput. Theor. Nanosci. 7, 2430-2440 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

RESEARCH ARTICLES
Quantum Machine Using Cold Atoms
Alexey V. Ponomarev, Sergey Denisov, and Peter Hänggi
J. Comput. Theor. Nanosci. 7, 2441-2447 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

The Roles of Potential Symmetry in Transport Properties of Superconducting Quantum Point Contacts
Argo Nurbawono, Yuan Ping Feng, and Chun Zhang
J. Comput. Theor. Nanosci. 7, 2448-2452 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Fuzzy Modeling and Synchronization of Chaotic Quantum Cellular Neural Networks Nano System via a Novel Fuzzy
Model and Its Implementation on Electronic Circuits

Zheng-Ming Ge and Shih-Yu Li
J. Comput. Theor. Nanosci. 7, 2453-2462 (2010)
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Self-Oscillations and Chaotic Dynamic of a Nonlinear Controlled Nano-Oscillator
Manuel F. Pérez Polo, Manuel Pérez Molina, and Javier Gil Chica
J. Comput. Theor. Nanosci. 7, 2463-2477 (2010)
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 Volume 7, Number 10 ( October 2010) pp.1855-2224

REVIEWS
Topical Review: Metallic Nanoparticles Array for Immunoassay
Shaoli Zhu, Yongqi Fu, and Junzhan Hou
J. Comput. Theor. Nanosci. 7, 1855-1869 (2010)
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A Review on Nanorobotics
A. M. J. C. Neto, I. Aragão Lopes, and K. R. Pirota
J. Comput. Theor. Nanosci. 7, 1870-1877 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

RESEARCH ARTICLES
The Effects of Grafted Carboxyl Groups on the Elastic Properties of Single-Walled Boron Nitride Nanotubes
Jianhui Yuan and K. M. Liew
J. Comput. Theor. Nanosci. 7, 1878-1884 (2010)
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Current Distance Response for Rapid DNA Sequencing
Wei Su, Ruixin Dong, Xunling Yan, Haijun Wang, and Hao Liu
J. Comput. Theor. Nanosci. 7, 1885-1888 (2010)
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Effects of Water Related Defects on Pentacene and Picene Molecules
R. Peköz and S. Erkoc
J. Comput. Theor. Nanosci. 7, 1889-1893 (2010)
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Design Approach of Metallic Nanoparticles Array for Biosensing: Calculation of Enhanced Electronic-Field
Shaoli Zhu and Yongqi Fu
J. Comput. Theor. Nanosci. 7, 1894-1899 (2010)
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The Eccentric Connectivity Index of Zig-Zag Polyhex Nanotubes and Nanotori
Mahboubeh Saheli and Ali Reza Ashrafi
J. Comput. Theor. Nanosci. 7, 1900-1903 (2010)
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DNA Sequence Splicing with Chaotic Maps for Image Encryption
Changjun Zhou, Xiaopeng Wei, Qiang Zhang, and Rui Liu
J. Comput. Theor. Nanosci. 7, 1904-1910 (2010)
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Fuzzy Automata System with Application
Qing-E Wu, Jun-Man Sun, Ji-Fang Wang, and Zhen-Yu Han
J. Comput. Theor. Nanosci. 7, 1911-1920 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Influence of the Pressure Component in Boundary Film on the Elastic Deformation and Film Thickness of
a Mixed Micro Contact

Yongbin Zhang
J. Comput. Theor. Nanosci. 7, 1921-1925 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Modeling of Titania Nanoparticle Accumulation at the Open End of Single-Walled Carbon Nanotubes Prior to TiO2
Encapsulation

Duangkamon Baowan, Darapond Triampo, and Wannapong Triampo
J. Comput. Theor. Nanosci. 7, 1926-1930 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Molecular Dynamics Simulation of the Interaction Between Nanoscale Twin Boundaries and Partial Dislocations
Haofei Zhou and Shaoxing Qu
J. Comput. Theor. Nanosci. 7, 1931-1934 (2010)
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Energetics and Electronic Properties of Small Diameter Si and Ge Nanotubes
L. Pan, H. J. Liu, Y. W. Wen, X. J. Tan, H. Y. Lv, and J. Shi
J. Comput. Theor. Nanosci. 7, 1935-1940 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Modeling and Estimation of Drain Current for Dual Metal Gate (Hf/AlNx) and Midgap Symmetric Double
Gate (SDG) MOSFET

S. K. Vishvakarma, A. K. Saxena, and S. Dasgupta
J. Comput. Theor. Nanosci. 7, 1941-1947 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Scale Effect and Buckling Analysis of Multilayered Graphene Sheets Based on Nonlocal Continuum Mechanics
S. C. Pradhan and J. K. Phadikar
J. Comput. Theor. Nanosci. 7, 1948-1954 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Finite Difference Analysis of Confined States in Quantum-Dot System with an Efficient Mesh Strategy
Jing Bai and Salman Butt
J. Comput. Theor. Nanosci. 7, 1955-1958 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Analytical Modeling of Potential and Drain Current for Symmetric Double Gate (SDG) MOSFET Using Self
Consistent Solution of 1-D Poisson's-Schrödinger Equations

S. K. Vishvakarma, A. K. Saxena, and S. Dasgupta
J. Comput. Theor. Nanosci. 7, 1959-1964 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

An Array of SiO2 Helix Structure for Terahertz Filter
Yi Lingjie, Zhou Xiuli, Shi Zhenkui, Fu Yongqi, and Wang Shiyong
J. Comput. Theor. Nanosci. 7, 1965-1967 (2010)
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A Theoretical Study for Oxidative Metabolism of Acetaminophen
Rosivaldo S. Borges, José L. M. do Nascimento, and Cláudio N. Alves
J. Comput. Theor. Nanosci. 7, 1968-1972 (2010)
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DNA Word Design Based on Combinational Constraints
Qiang Zhang and Rui Zhang
J. Comput. Theor. Nanosci. 7, 1973-1977 (2010)
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Theoretical Imaging of Current Profiles in Three Terminal Devices
Jin Lan, Wenquan Sui, and Xuean Zhao
J. Comput. Theor. Nanosci. 7, 1978-1990 (2010)
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The Zagreb Indices of Dendrimer Nanostars
Shubo Chen and Weijun Liu
J. Comput. Theor. Nanosci. 7, 1991-1992 (2010)
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The Geometric-Arithmetic Index of Nanotubes
Shubo Chen and Weijun Liu
J. Comput. Theor. Nanosci. 7, 1993-1995 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Noncovalent 1:2 Complex of meso-Tetraphenylporphine with C60 Fullerene: A Density Functional Theory Study
Oscar Amelines-Sarria, Yevgeniy Kolokoltsev, and Vladimir A. Basiuk
J. Comput. Theor. Nanosci. 7, 1996-2003 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Simulation and Study of Bridge-Like Radiation Defects in the Carbon Nano-Structures
A. M. Ilyin, G. W. Beall, and I. A. Tsyganov
J. Comput. Theor. Nanosci. 7, 2004-2007 (2010)
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Computation of the Nuclear Magnetic Resonance Parameters of H-Capped Zigzag and Armchair
Single-Walled SiC Nanotubes

Ahmad Seif, Temer S. Ahmadi, and Goudarz M. Rouzbehani
J. Comput. Theor. Nanosci. 7, 2008-2012 (2010)
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A Novel Method for Pairwise Alignment Based on an Ant Colony Algorithm
Gangcheng Li, Xinyuan Zhou, Jie Yang, Huanwe Chen, Qiong Cai, and Penghui Chen
J. Comput. Theor. Nanosci. 7, 2013-2018 (2010)
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Radiative Heat Transfer of Spherical Particles Mediated by Fluctuation Electromagnetic Field
G. V. Dedkov and A. A. Kyasov
J. Comput. Theor. Nanosci. 7, 2019-2023 (2010)
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Parameter Optimization for Better Quantum Well Nanostructure Based on Comparative Performance
Analysis of Particle Swarm Optimization and Genetic Algorithm

Sanjoy Deb, N. Basanta Singh, Samir Kumar Sarkar, and Subir Kumar Sarkara
J. Comput. Theor. Nanosci. 7, 2024-2030 (2010)
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Stacking Interaction in DNA Molecule
S. Zdravkovic and M. V. Sataric
J. Comput. Theor. Nanosci. 7, 2031-2035 (2010)
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Scattering of Electrons off Hollow Cylindrical Potentials
Vivishek Sudhir and Pranawa C. Deshmukh
J. Comput. Theor. Nanosci. 7, 2036-2043 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Structural and Spectroscopic Analysis for Metals Interaction with Protein
Medhat Ibrahim, Abdullah Al-Hossain, and Zarrag Al-Fifi
J. Comput. Theor. Nanosci. 7, 2044-2048 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Buckling Behavior of Armchair and Zigzag Carbon Nanorings
Cong Feng and K. M. Liew
J. Comput. Theor. Nanosci. 7, 2049-2053 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Tuning the Plasmonic Characters by Fabricating a Two-Dimentional Nanostructure from a Straight Nanochain
Shen-wei Bai, Jian Zhu, and Can Zheng
J. Comput. Theor. Nanosci. 7, 2054-2062 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

First-Principles Study of the Initial Growth Stages of Carbon Chain on Ni(111) Surface
Peili He, Yuliang Mao, Lizhong Sun, and Jianxin Zhong
J. Comput. Theor. Nanosci. 7, 2063-2067 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Tunable THz Broadband Filters in Two-Dimensional Photonic Crystal Plate
Xiuli Zhou, Shiyong Wang, Yongqi Fu, Yan You, and Zhenkui Shi
J. Comput. Theor. Nanosci. 7, 2068-2071 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Lower Bounds of DNA Codes with Reverse Constraint
Qiang Zhang and Chunxia Xu
J. Comput. Theor. Nanosci. 7, 2072-2076 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

The Effective Susceptibility Concept in the Electrodynamics of Nano-Systems
Valeri Lozovski
J. Comput. Theor. Nanosci. 7, 2077-2093 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Quantum Billiards Under the Influence of External Magnetic Field
J. P. Rodriguez and J. B. Wang
J. Comput. Theor. Nanosci. 7, 2094-2099 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Electronic Structure and Stability of Ultranarrow Single-Layer SnS2 Nanoribbons: A First-Principles Study
Linze Li, Hong Li, Jing Zhou, Jing Lu, Rui Qin, Zhengxiang Gao, and Wai Ning Mei
J. Comput. Theor. Nanosci. 7, 2100-2103 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Nonlocal Stress Theory for Buckling Instability of Nanotubes: New Predictions on Stiffness Strengthening
Effects of Nanoscales

C. W. Lim, J. C. Niu, and Y. M. Yu
J. Comput. Theor. Nanosci. 7, 2104-2111 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Modelling of Hydrogen Adsorption/Desorption in Metal Hydride Reactor
O. Akanji and A. V. Kolesnikov
J. Comput. Theor. Nanosci. 7, 2112-2115 (2010)
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An Exact Expression for the Padmakar-Ivan Polynomial of Some Nanostructures
A. R. Ashrafi, H. Yousefi-Azari, and B. Manoochehrian
J. Comput. Theor. Nanosci. 7, 2116-2118 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

An Exact Expression for the Szeged Index of V-Phenylenic Nanotubes and Nanotori
Amir Bahrami and Javad Yazdani
J. Comput. Theor. Nanosci. 7, 2119-2121 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Implementation of the Multidimensional Knapsack Problem Using Self-Assembly of DNA Tiles
Zhen Cheng, Zhihua Chen, Yufang Huang, and Jin Xu
J. Comput. Theor. Nanosci. 7, 2122-2132 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

A SPECIAL SECTION
A Special Section on Mechanical Properties of Materials
Guest Editor: Liangchi Zhang
J. Comput. Theor. Nanosci. 7, 2133-2134 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

RESEARCH ARTICLES
Mechanical Properties of a Silicon Nano-Wire Under Uni-Axial Tension and Compression
C. Y. Tang, L. C. Zhang, and K. Mylvaganam
J. Comput. Theor. Nanosci. 7, 2135-2143 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Study of Direct Nanoimprinting Processes by Molecular Dynamics Simulations
Qing-Xiang Pei, Zi-Shun Liu, Yong-Wei Zhang, and Zhili Dong
J. Comput. Theor. Nanosci. 7, 2144-2150 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Elastic Properties and Frequencies of Free Vibrations of Single-Layer Graphene Sheets
S. S. Gupta and R. C. Batra
J. Comput. Theor. Nanosci. 7, 2151-2164 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Molecular Dynamics Simulation of Chemical Reaction Assisted Grinding of Silicon Wafer by Controlling
Interatomic Potential Parameters

Jun Shimizu, Libo Zhou, and Takeyuki Yamamoto
J. Comput. Theor. Nanosci. 7, 2165-2170 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Mechanical Characterization of Nanomolding Process Using Coarse Particle Dynamics
Cheng-Da Wu, Te-Hua Fang, and Jen-Fin Lin
J. Comput. Theor. Nanosci. 7, 2171-2175 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Vibration of Axially Strained Triple-Wall Carbon Nanotubes
C. Y. Wang, Y. Zhao, S. Adhikari, and Y. T. Feng
J. Comput. Theor. Nanosci. 7, 2176-2185 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Three Dimensional Quasi-Steady Orthogonal Nanocutting Model and Simulation Analysis
Zone-Ching Lin and Jhong-Ming Yang
J. Comput. Theor. Nanosci. 7, 2186-2198 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Nano-Friction of Some Carbon Allotropes
K. Mylvaganam and L. C. Zhang
J. Comput. Theor. Nanosci. 7, 2199-2202 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Adhesion Performance of Polymer Nanofibres Under Shear Loading
Li Zhang, Tong Lin, and Xungai Wang
J. Comput. Theor. Nanosci. 7, 2203-2209 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Computational and Experimental Analysis of the Micromilling Process
M. J. Jackson and G. M. Robinson
J. Comput. Theor. Nanosci. 7, 2210-2224 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]


 Volume 7, Number 9 ( September 2010) pp.1631-1854

A SPECIAL ISSUE
A Special Issue on Technology Trends and Theory of Nanoscale Devices for Quantum Applications
Guest Editors: Alkiviadis-Constantinos Cefalas, Christos Riziotis, Athanasios Vasilakos, and Apostolos Vourdas
J. Comput. Theor. Nanosci. 7, 1631-1634 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

REVIEWS
Topics in Quantum Dynamics and Coherence for Quantum Information Processing
Vladimir Privman
J. Comput. Theor. Nanosci. 7, 1635-1641 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Entanglement of Matter Qubits at a Distance
E. Zipper and M. Kurpas
J. Comput. Theor. Nanosci. 7, 1642-1650 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Theory of a Scalable Electron-Spin Based Quantum Network Inside a Photonic Crystal
Gabriel González, Michael N. Leuenberger, Hubert Seigneur, and Winston V. Schoenfeld
J. Comput. Theor. Nanosci. 7, 1651-1672 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Surface Electromagnetic Phenomena in Pristine and Atomically Doped Carbon Nanotubes
I. V. Bondarev
J. Comput. Theor. Nanosci. 7, 1673-1687 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Novel Quantum Phenomena in Carbon Nanotubes; Superconductivity, One-Dimensional Electron
Correlations, and Spin Quantum Bits

Junji Haruyama
J. Comput. Theor. Nanosci. 7, 1688-1706 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

RESEARCH ARTICLES
Spin Information Achieved by Energy Transfer via Optical Near Fields Between Quantum
Dots and Its Robustness

A. Sato, F. Minami, H. Hori, and K. Kobayashi
J. Comput. Theor. Nanosci. 7, 1707-1716 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Controlled Preparation of a Biexciton State in a Quantum Dot
Emmanuel Paspalakis
J. Comput. Theor. Nanosci. 7, 1717-1722 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Magnetic Qubit in a Non-Magnetic Semiconductor Quantum Dot Molecule
O. Voskoboynikov and C. M. J. Wijers
J. Comput. Theor. Nanosci. 7, 1723-1726 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Indirect Coupling in a Cluster of Quantum-Dot-Based Charge Qubits
Alexander V. Tsukanov
J. Comput. Theor. Nanosci. 7, 1727-1736 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Electron Transport via Surface Acoustic Waves
F. Welna and J. B. Wang
J. Comput. Theor. Nanosci. 7, 1737-1746 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Optical Cooling of Atoms in Microtraps by Time-Delayed Reflection
Peter Horak, André Xuereb, and Tim Freegarde
J. Comput. Theor. Nanosci. 7, 1747-1753 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Phase Entanglers for Multi-Qubit States
Hoshang Heydari
J. Comput. Theor. Nanosci. 7, 1754-1758 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Unitary Reflection Groups for Quantum Fault Tolerance
Michel Planat and Maurice Kibler
J. Comput. Theor. Nanosci. 7, 1759-1770 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Event-by-Event Simulation of a Quantum Eraser Experiment
F. Jin, S. Zhao, S. Yuan, H. De Raedt, and K. Michielsen
J. Comput. Theor. Nanosci. 7, 1771-1782 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Designing Nanomachines: A Theoretical and Computational Approach
Evangelos Bakalis
J. Comput. Theor. Nanosci. 7, 1783-1799 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Magnetic Field Trapping in Coherent Antisymmetric States of Liquid Water Molecular Rotors
A. C. Cefalas, E. Sarantopoulou, Z. Kollia, C. Riziotis, G. Dražic, S. Kobe, J. Stražišar, and A. Meden
J. Comput. Theor. Nanosci. 7, 1800-1805 (2010)
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Challenges of Computations at the Nanoscale
Ana Proykova
J. Comput. Theor. Nanosci. 7, 1806-1813 (2010)
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Graphene-Carbon Nanotube Composites
E. F. Sheka and L. A. Chernozatonskii
J. Comput. Theor. Nanosci. 7, 1814-1824 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Surface Roughness Effects in Micro and Nanofluidic Devices
Nikolaos Asproulis and Dimitris Drikakis
J. Comput. Theor. Nanosci. 7, 1825-1830 (2010)
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Quantum Mechanical Origin of Genetic Material in Minimal Cells
Arvydas Tamulis and Mantas Grigalavicius
J. Comput. Theor. Nanosci. 7, 1831-1841 (2010)
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Guided Dispersion Characteristics of Nanoscale Plasmonic Coaxial Lines
Ki Young Kim
J. Comput. Theor. Nanosci. 7, 1842-1847 (2010)
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Design and Optimisation of WDM Circular Photonic Crystals Characterised by Induced Anisotropy
Alessandro Massaro, Roberto Cingolani, Massimo De Vittorio, and Adriana Passaseo
J. Comput. Theor. Nanosci. 7, 1848-1854 (2010)
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 Volume 7, Number 8 ( August 2010) pp.1317-1630

REVIEW
Modeling of Dislocation Interaction with Solutes, Nano-Precipitates and Interfaces: A Multiscale Challenge
Nicholas G. Kioussis and Nasr M. Ghoniem
J. Comput. Theor. Nanosci. 7, 1317-1346 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

RESEARCH ARTICLES
Sensitivity of Triangular Hybrid Au-Ag Nanostructure Array
Shaoli Zhu and Wei Zhou
J. Comput. Theor. Nanosci. 7, 1347-1350 (2010)
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Superconductivity of Thin Metallic Films
Vjekoslav Sajfert, Dušan Popov, Bednar Nikola, and Bratislav Tošic
J. Comput. Theor. Nanosci. 7, 1351-1363 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Self-Similar Chain of Nanocrescents as a Surface-Enhanced Raman Scattering Substrate
Lanying Yang, Xiangang Luo, and Minghui Hong
J. Comput. Theor. Nanosci. 7, 1364-1367 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Quantum Transport in Honeycomb Lattice Ribbons with Zigzag Edges
Santanu K. Maiti
J. Comput. Theor. Nanosci. 7, 1368-1374 (2010)
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Algorithmic Tile Assembly for Solution of the Maximum Clique Problem
Yufang Huang, Jin Xu, and Zhen Cheng
J. Comput. Theor. Nanosci. 7, 1375-1385 (2010)
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Numerical Simulation of Detection Response of Field Effect MOS Transistor to Modulated Terahertz
Radiation Signal

Yinglei Wang, Zhifeng Yan, Jingxuan Zhu, Xinnan Lin, Jin He, Mansun Chan, and Juncheng Cao
J. Comput. Theor. Nanosci. 7, 1386-1392 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Theoretical and Computational Modeling of Functionalization Energy for Armchair Molecular Models of Nanotubes
Massimo Fusaro
J. Comput. Theor. Nanosci. 7, 1393-1399 (2010)
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Vibration Properties of Single Walled Carbon Nanotubes-A Comparison Between the Atomistic Simulations and
Continuum Shell Modelling

C. D. Reddy, S. Rajendran, and K. M. Liew
J. Comput. Theor. Nanosci. 7, 1400-1406 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Effect of Monatomic Dopant on Bimolecular Transport Conductance
Ming Qiu and K. M. Liew
J. Comput. Theor. Nanosci. 7, 1407-1412 (2010)
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Computer Study of the Percolation Criterion in Two-Dimensional Systems of Circular and Sticklike Nanoparticles
Tahoora Dalafi, Ali Dalafi, Mahmoud Jafari, Sadollah Ebrahimi, Iraj Hadi, and Jamshid Sabbaghzadeh
J. Comput. Theor. Nanosci. 7, 1413-1417 (2010)
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Two Possible Approaches in Peyrard-Bishop-Dauxois Model of DNA Dynamics
Slobodan Zdravkovi? and Conrad Bertrand Tabi
J. Comput. Theor. Nanosci. 7, 1418-1424 (2010)
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The Effect of Magnetic Field Gradient on Ferrofluids Heat Transfer in a Two-Dimensional Enclosure
Anwar Gavili, Maryamalsadat Lajvardi, and Jamshid Sabbaghzadeh
J. Comput. Theor. Nanosci. 7, 1425-1435 (2010)
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Effective Young's Modulus of Carbon Nanotube Composites: From Multi-Scale Finite Element Predictions to an
Analytical Rule

S. K. Georgantzinos, G. I. Giannopoulos, and N. K. Anifantis
J. Comput. Theor. Nanosci. 7, 1436-1442 (2010)
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A Theoretical Kohn-Sham Density Functional Theory Based Study of Pt@Pd12
Maribel Dessens-Félix, Rafael Pacheco-Contreras, Catalina Cruz-Vázquez, Alvaro Posada-Amarillas, and
Andreas M. Köster

J. Comput. Theor. Nanosci. 7, 1443-1446 (2010)
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Analysis and Simulation for Properties and Performance of Carbon-Nitrogen-Ceramic Multilayer Coatings
Ming-Der Jean, Tzu-Hsuan Chien, Huan Chang, and Jium Fang
J. Comput. Theor. Nanosci. 7, 1447-1456 (2010)
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Geometry and Energetics of Nano Gears
Ya-Lin Li, Yin-Li Liu, Qian Wang, and Qiang Sun
J. Comput. Theor. Nanosci. 7, 1457-1461 (2010)
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3D Reconstruction of Carbon Nanotube Composite Microstructure Using Correlation Functions
D. S. Li, M. Baniassadi, H. Garmestani, S. Ahzi, M. M. Reda Taha, and D. Ruch
J. Comput. Theor. Nanosci. 7, 1462-1468 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Kinetic Monte Carlo Simulations of Submonolayer Growth of NiTi Alloy Thin Films
Y. G. Zhu and H. B. Rong
J. Comput. Theor. Nanosci. 7, 1469-1474 (2010)
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Method for Constructing Phylogenetic Tree Based on a Relation Matrix
Jianwei Gao and Zhi Cao
J. Comput. Theor. Nanosci. 7, 1475-1478 (2010)
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Ab-Initio Study of Zigzag Single Wall Carbon Nanotubes
U. S. Sharma, Anurag Srivastava, and U. P. Verma
J. Comput. Theor. Nanosci. 7, 1479-1481 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Toward Mechanosynthesis of Diamondoid Structures: V. Silicon as the Material of Choice for Preliminary
Implementation of Intermediate Generation of Nano-Machine Systems

Aleksander Herman
J. Comput. Theor. Nanosci. 7, 1482-1485 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Conformational Studies on Rotenoid and Its Biosynthetic Implications
Bruna H. S. Silva, Joyce K. L. Vale, Tainá G. Barros, Carlos A. L. Barros, José L. F. Vieira, and Rosivaldo S. Borges
J. Comput. Theor. Nanosci. 7, 1486-1489 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Alternative Control of Nanoparticles Dispersity in High-Temperature Flow Reactors
Moropeng Mapula Lucey and Kolesnikov Andrei
J. Comput. Theor. Nanosci. 7, 1490-1495 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

A Survey of Boundary Lubrication Effect in Elastohydrodynamic Lubrication
Yongbin Zhang
J. Comput. Theor. Nanosci. 7, 1496-1500 (2010)
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Feynman Polaron Charateristics in Two Tubular Quantum Dots with Parabolic and Rectangular Potential Wells
L. C. Fai, A. Fomethe, A. Fotue, S. C. Kenfack, J. T. Diffo, V. B. Mborong, and S. Domngang
J. Comput. Theor. Nanosci. 7, 1501-1506 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

A Uniform Solution to Subset Sum by Tissue P Systems with Cell Separation
Yun Jiang, Xingyi Zhang, and Zheng Zhang
J. Comput. Theor. Nanosci. 7, 1507-1513 (2010)
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Diffraction Coupling Angle-Based Design of Au Plasmonic Structure for Subwavelength Focusing
Jun Wang and Wei Zhou
J. Comput. Theor. Nanosci. 7, 1514-1517 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

A Computational Study of Endohedral and Exohedral Complexes of Molecular Hydrogen with Single Wall (3, 3) to
(6, 6) Armchair Silicon Carbide Nanotubes

Souptik Mukherjee and Asok K. Ray
J. Comput. Theor. Nanosci. 7, 1518-1530 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Structure and Optical Properties of Nanocrystals and Quantum Dots with Diamond, Lonsdaleite, Sphalerite and
Wurtzite Structures

E. F. Kustov and V. M. Novotortsev
J. Comput. Theor. Nanosci. 7, 1531-1545 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Five-Input Majority Gate, a New Device for Quantum-Dot Cellular Automata
Keivan Navi, Samira Sayedsalehi, Razieh Farazkish, and Mostafa Rahimi Azghadi
J. Comput. Theor. Nanosci. 7, 1546-1553 (2010)
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Using Fuzzy Expert System to Simulating the Antibacterial Activity of Nanosilver Coated Cotton Fabrics
A. Shams Nateri, A. Oroumei, S. Dadvar, A. Fallah-Shojaie, Gh. Khayati, and O. Emamgholipur
J. Comput. Theor. Nanosci. 7, 1554-1558 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

The Effect of Metal-Molecule Contacts on Transport Properties of Molecules
Seifollah Jalili and Abdolhakim Pangh
J. Comput. Theor. Nanosci. 7, 1559-1569 (2010)
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A SPECIAL SECTION
A Special Section on Numerical Methods for Optical Nanostructures
Guest Editor: Christian Hafner
J. Comput. Theor. Nanosci. 7, 1570-1571 (2010)
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RESEARCH ARTICLES
Comparison of Low-Storage Runge-Kutta Schemes for Discontinuous Galerkin Time-Domain Simulations of
Maxwell's Equations

Richard Diehl, Kurt Busch, and Jens Niegemann
J. Comput. Theor. Nanosci. 7, 1572-1580 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Improving Nano-Optical Simulations Through Curved Elements Implemented within the Discontinuous Galerkin
Method Computational

Andreas Hille, René Kullock, Stefan Grafström, and Lukas M. Eng
J. Comput. Theor. Nanosci. 7, 1581-1586 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Multiple Multipole Program Modelling for Nano Plasmonic Sensors
Takumi Sannomiya and Christian Hafner
J. Comput. Theor. Nanosci. 7, 1587-1595 (2010)
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Finite Element Analysis of Asymmetric Scanning Near Field Optical Microscopy Probes
Valeria Lotito, Urs Sennhauser, and Christian Hafner
J. Comput. Theor. Nanosci. 7, 1596-1609 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

The Influence of Particle Shapes on the Optical Response of Nearly Touching Plasmonic Nanoparticle Dimers
Xudong Cui and Daniel Erni
J. Comput. Theor. Nanosci. 7, 1610-1615 (2010)
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Plasmonic V-Groove Waveguides: Building Blocks for Optical Transistor
Jasmin Smajic and Christian Hafner
J. Comput. Theor. Nanosci. 7, 1616-1622 (2010)
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Light Propagation in Multilayered Photonic Structures
Matthew Mishrikey, Leonid Braginsky, and Christian Hafner
J. Comput. Theor. Nanosci. 7, 1623-1630 (2010)
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 Volume 7, Number 7 ( July 2010) pp.1201-1316

A SPECIAL ISSUE
A Special Issue on Computational and Theoretical Materiomics: Properties of Biological and de novo
Bioinspired Materials

Guest Editor: Markus J. Buehler
J. Comput. Theor. Nanosci. 7, 1201-1202 (2010)
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REVIEWS
Computational and Theoretical Materiomics: Properties of Biological and de novo Bioinspired Materials
Markus J. Buehler
J. Comput. Theor. Nanosci. 7, 1203-1209 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Coarse-Grained Elastic Models of Protein Structures for Understanding Their Mechanics and Dynamics
Kilho Eom, Gwonchan Yoon, Jae-In Kim, and Sungsoo Na
J. Comput. Theor. Nanosci. 7, 1210-1226 (2010)
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RESEARCH ARTICLES
Persistence Length of Microtubules Based on a Continuum Anisotropic Shell Model
Yuanwen Gao, Jizeng Wang, and Huajian Gao
J. Comput. Theor. Nanosci. 7, 1227-1237 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

First-Principles Based Approaches to Nano-Mechanical and Biomimetic Characterization of
Polymer-Based Hydrogel Networks for Cartilage Scaffold-Supported Therapies

Andrés Jaramillo-Botero, Mario Blanco, Youyong Li, Garrett McGuinness, and William A. Goddard III
J. Comput. Theor. Nanosci. 7, 1238-1256 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Combining Reptation Dynamics and Percolation in Modelling Viscoelastic Response of Collagen
Based Nanocomposites

J. Jancar, E. Jancarova, and J. Zidek
J. Comput. Theor. Nanosci. 7, 1257-1264 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

An Atomistic Study of the Strength of Protein-Mineral Interface of Biological Materials with a Biomimicking Model
System at Nanoscale

Baohua Ji
J. Comput. Theor. Nanosci. 7, 1265-1271 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Salt Solution Effects on Overstretching Transitions of DNA Molecules
Hongxia Fu, Hu Chen, Jie Yan, and Chwee Teck Lim
J. Comput. Theor. Nanosci. 7, 1272-1278 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Comparative Study of Polymorphous Alzheimer's A (1-40) Amyloid Nanofibrils and Microfibers
Raffaella Paparcone, Joseandres Sanchez, and Markus J. Buehler
J. Comput. Theor. Nanosci. 7, 1279-1286 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Computer-Aided Molecular Modeling and Experimental Validation of Water Permeability Properties in
Biosynthetic Materials

Alfonso Gautieri, Mariana Ionita, Davide Silvestri, Emiliano Votta, Simone Vesentini, Gianfranco B. Fiore,
Nicoletta Barbani, Gianluca Ciardelli, and Alberto Redaelli

J. Comput. Theor. Nanosci. 7, 1287-1293 (2010)
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Molecular Dynamics Simulations of Stretching, Twisting and Fracture of Super Carbon Nanotubes with Different
Chiralities: Towards Smart Porous and Flexible Scaffolds

Vitor R. Coluci and Nicola M. Pugno
J. Comput. Theor. Nanosci. 7, 1294-1298 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Gibson-Soil-Like Materials Achieve Flaw-Tolerant Adhesion
Haimin Yao and Huajian Gao
J. Comput. Theor. Nanosci. 7, 1299-1305 (2010)
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Tensile and Compressive Loading Effects on Texture Dependent Nanoscale Mechanical Behavior of
Model Tropocollagen-Hydroxyapatite Biomaterials

Devendra K. Dubey and Vikas Tomar
J. Comput. Theor. Nanosci. 7, 1306-1316 (2010)
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 Volume 7, Number 6 ( June 2010) pp.933-1200

REVIEW
Boolean Differential Calculus-Theory and Applications
Bernd Steinbach and Christian Posthoff
J. Comput. Theor. Nanosci. 7, 933-981 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

RESEARCH ARTICLES
On the Domain Structure of Spin Density on Hexagulene Polyaromatic Hydrocarbon Clusters
Volodymyr D. Khavryuchenko, Oleksiy V. Khavryuchenko, and Vladyslav V. Lisnyak
J. Comput. Theor. Nanosci. 7, 982-987 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

New Predictions of Size-Dependent Nanoscale Based on Nonlocal Elasticity for Wave Propagation in
Carbon Nanotubes

C. W. Lim and Y. Yang
J. Comput. Theor. Nanosci. 7, 988-995 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Structure and Thermal Stability of Co- and Fe-Intercalated Double Graphene Layers
O. V. Mykhailenko, Yu. I. Prylutskyy, D. Matsui, Y. M. Strzhemechny, F. Le Normand, U. Ritter, and P. Scharff
J. Comput. Theor. Nanosci. 7, 996-999 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Towards Mechanosynthesis of Diamondoid Structures: IV. The Strategy for Preliminary Implementation of
Ellenbogen's "Matter as Software" Concept

Aleksander Herman
J. Comput. Theor. Nanosci. 7, 1000-1010 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Optimization of Annealing for Decreasing of Depth of System of Serial p-n-Junctions in a Heterostructure
E. L. Pankratov
J. Comput. Theor. Nanosci. 7, 1011-1020 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Nearfield Beam Shaping Through Tuning Diffraction Coupling Angles
Jun Wang and Wei Zhou
J. Comput. Theor. Nanosci. 7, 1021-1024 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Monte-Carlo Simulation on Gold Nanoshells Enhanced Laser Interstitial Thermal Therapy on Target Tumor
Xin Wang, Xiang Gao, and Jing Liu
J. Comput. Theor. Nanosci. 7, 1025-1031 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Designing Tunable Photonic Crystals with Band Gaps in Microwave Range
M. Ciobanu, L. Preda, A. Popescu, M. Mihailescu, and M. I. Rusu
J. Comput. Theor. Nanosci. 7, 1032-1034 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Stress Distribution on a Single-Walled Carbon Nanohorn Embedded in an Epoxy Matrix Nanocomposite
Under Axial Force

K. Momeni and R. S. Yassar
J. Comput. Theor. Nanosci. 7, 1035-1041 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Vibration of Single Layer Graphene Sheet Based on Nonlocal Elasticity and Higher Order Shear Deformation Theory
S. C. Pradhan and B. Sahu
J. Comput. Theor. Nanosci. 7, 1042-1050 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

A Novel Method for Feature Gene Selection Based on Geodesic Distance
Bo Liao, Xing Li, Jiawei Luo, Qingguang Zeng, and Wen Zhu
J. Comput. Theor. Nanosci. 7, 1051-1054 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Additional Boundary Conditions for a Nonlocal Beam and an Application to the Nanotechnology
Reha Artan, Aysegül Tepe, and Ay?e Toksöz
J. Comput. Theor. Nanosci. 7, 1055-1058 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Ab-Initio Study of Isomeric Structures of Agn (n = 1-5) Nanowires
Pankaj Srivastava, Kumar Saurabh Yadav, and Satyendra Singh
J. Comput. Theor. Nanosci. 7, 1059-1065 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Influence of External Light Waves on the Thermoelectric Power Under Strong Magnetic Field in Ultrathin Films,
Quantum Wires and Quantum Dots of Optoelectronic Materials

S. Bhattarchya, D. De, S. Ghosh, P. Banerjee, S. Saha, M. Mitra, B. Nag, M. Pal, M. Mitra, S. K. Biswas, and K. P. Ghatak
J. Comput. Theor. Nanosci. 7, 1066-1084 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Finite Difference Time Domain Calculation on Layer-by-Layer Assemblies of Close-Packed Gold Nanoparticles
Min Kyung Oh, Sungho Park, Seong Kyu Kim, and Sang-Hyun Lim
J. Comput. Theor. Nanosci. 7, 1085-1094 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Interaction of meso-Tetraphenylporphines with C60 Fullerene: Comparison of Several Density Functional Theory
Functionals Implemented in DMol3 Module

Yevgeniy Kolokoltsev, Oscar Amelines-Sarria, Taras Yu. Gromovoy, and Vladimir A. Basiuk
J. Comput. Theor. Nanosci. 7, 1095-1103 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Study of the Spin Orbit Interaction Effects on the Intersubband Optical Absorption Coefficients and Refractive Index
Changes of a Spherical Quantum Dot

S. E. Pourmand and G. Rezaei
J. Comput. Theor. Nanosci. 7, 1104-1107 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Nano Fiber with a Metal Clad
M. Hosseini Farzad, M. Ranjbar, and H. Mazaheri Far
J. Comput. Theor. Nanosci. 7, 1108-1113 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Bulk Metallic System Modeling of Metal Hydride Dimer and Trimer Nanoclusters
William O. Griffin and Jerry A. Darsey
J. Comput. Theor. Nanosci. 7, 1114-1119 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Designing DNA Sequences Satisfing Combinational Constraints
Qiang Zhang and Bin Wang
J. Comput. Theor. Nanosci. 7, 1120-1126 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Electron Transport and Josephson-Conductance in Mesoscopic Systems
Arafa H. Aly and M. A. K. Elfayoumi
J. Comput. Theor. Nanosci. 7, 1127-1130 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Study of Photoabsorption and Photoelectric Process in GaAs Semiconductor Quantum Dot Nanostructure
S. P. Purohit and K. C. Mathur
J. Comput. Theor. Nanosci. 7, 1131-1135 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

On the Degree Distance of C4C8 Nanotubes
Shubo Chen and Weijun Liu
J. Comput. Theor. Nanosci. 7, 1136-1142 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Applications of the Matrix Package MATLAB in Computing the Wiener Polynomial of Armchair Polyhex
Nanotubes and Nanotori

Hosein Shabani and Ali Reza Ashrafi
J. Comput. Theor. Nanosci. 7, 1143-1146 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Density Functional Theory Investigation of Natural Bond Orbital Population Analysis and Gauge-Including Atomic
Orbital NMR Tensors of K@B36N36

Asadollah Boshra, Majid Monajjemi, Mehran Aghaie, and Hossein Aghaie
J. Comput. Theor. Nanosci. 7, 1147-1158 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

An Improved Genetic Algorithm for Design of DNA Sequence Sets
Qiang Zhang and Bin Wang
J. Comput. Theor. Nanosci. 7, 1159-1164 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Interband Magnetoabsorption in Cylindrical Quantum Layer with Smorodinsky-Winternitz Confinement Potential
A. K. Atayan, E. M. Kazaryan, A. V. Meliksetyan, and H. A. Sarkisyan
J. Comput. Theor. Nanosci. 7, 1165-1171 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Computer Modeling of Nanoindentation in the Limits of a Coupled Molecular-Statics and Elastic Scheme
Marcin Mazdziarz, Toby D. Young, Pawel Dluzewski, Tomasz Wejrzanowski, and Krzysztof J. Kurzydlowski
J. Comput. Theor. Nanosci. 7, 1172-1181 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

First-Principles Study on Physical Properties of a Single ZnO Monolayer with Graphene-Like Structure
Z. C. Tu
J. Comput. Theor. Nanosci. 7, 1182–1186 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

The Effect of Dielectric Function on a Laser Dressed Donor Impurity in an Inverse Quantum Well
S. Mahalaksmi and A. John Peter
J. Comput. Theor. Nanosci. 7, 1187-1193 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Atomistic Simulations on the Mechanical Behavior of Single-Crystalline Cu Nanowires Under Bending and
Torsion Loads

Xia Tian, Junzhi Cui, and Meizhen Xiang
J. Comput. Theor. Nanosci. 7, 1194-1200 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]


 Volume 7, Number 5 ( May 2010) pp.803-932

A SPECIAL ISSUE
A Special Issue on Bio-Inspired Computing (BIC-TA 2008)
Guest Editors: David Kearney, Van Nguyen, and Gianpaolo Gioiosa
J. Comput. Theor. Nanosci. 7, 803-805 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

RESEARCH ARTICLES
A New Evolutionary Approach to Cluster Validation Index
Sanghoun Oh, Chang Wook Ahn, and Moongu Jeon
J. Comput. Theor. Nanosci. 7, 806-812 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

An Efficient Genetic Algorithm Based on the Cultural Algorithm Applied to DNA Codewords Design
Yanfeng Wang, Ying Niu, Guangzhao Cui, and Xuncai Zhang
J. Comput. Theor. Nanosci. 7, 813-819 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Research on Invasive Weed Optimization Based on the Cultural Framework
Xuncai Zhang, Jin Xu, Guangzhao Cui, Yanfeng Wang, and Ying Niu
J. Comput. Theor. Nanosci. 7, 820-825 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Solving 0-1 Planning Problem Based on Self-Assembly of DNA Tiles
Yufang Huang, Zhen Cheng, Jin Xu, Xiaolong Shi, and Kang Zhou
J. Comput. Theor. Nanosci. 7, 826-830 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Design of Bio-Inspired Multi-Stage Regulations for Diagnostic Molecular Automata
Miki Hirabayashi, Hirotada Ohashi, and Tai Kubo
J. Comput. Theor. Nanosci. 7, 831-839 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Efficient DNA Sticker Algorithms to Data Encryption Standard
Zhihua Chen and Xiutang Geng
J. Comput. Theor. Nanosci. 7, 840-847 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

One-Time-Pads Encryption in the Tile Assembly Model
Zhihua Chen and Jin Xu
J. Comput. Theor. Nanosci. 7, 848-855 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Algorithm for Elliptic Curve Diffie-Hellman Key Exchange Based on DNA Tile Self-Assembly
Zhen Cheng, Yufang Huang, Zhihua Chen, Xiaolong Shi, and Jin Xu
J. Comput. Theor. Nanosci. 7, 856-861 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Input Data Analysis by Neural Network
Tim Hendtlass
J. Comput. Theor. Nanosci. 7, 862-867 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Effective Feature Extraction by Trace Transform for Insect Footprint Recognition
Bok-Suk Shin, Eui-Young Cha, Kwang-Baek Kim, Kyoung-Won Cho, Reinhard Klette, and Young Woon Woo
J. Comput. Theor. Nanosci. 7, 868-875 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Bio-Inspired Communication: Performance Limits for Information Transmission and Compression in
Stochastic Pooling Networks with Binary Quantizing Nodes

Mark D. McDonnell, Pierre-Olivier Amblard, and Nigel G. Stocks
J. Comput. Theor. Nanosci. 7, 876-883 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

A Linear Time Solution to the Partition Problem in a Cellular Tissue-Like Model
Daniel Díaz-Pernil, Miguel A. Gutiérrez-Naranjo, Mario J. Pérez-Jiménez, and Agustín Riscos-Núñez
J. Comput. Theor. Nanosci. 7, 884-889 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Small Universal Spiking Neural P Systems with Exhaustive Use of Rules
Xingyi Zhang, Yun Jiang, and Linqiang Pan
J. Comput. Theor. Nanosci. 7, 890-899 (2010)
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Automatic L-System Discovery for Virtual Plants by Branching Pattern Analysis of Unfoliaged Trees
Hongchun Qu, Qingsheng Zhu, Hegang Fu, Lingqiu Zeng, Mingwei Guo, and Zhonghua Lu
J. Comput. Theor. Nanosci. 7, 900-910 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Performance of a Bio-Inspired Model for the Robust Detection of Moving Targets in High Dynamic Range
Natural Scenes

Steven. D. Wiederman, Russell S. A. Brinkworth, and David C. O'Carroll
J. Comput. Theor. Nanosci. 7, 911-920 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Extraction of Muscle Areas from Ultrasonographic Images Using Refined Histogram Stretching and
Fascia Information

Kwang-Baek Kim, Doo Heon Song, Young Hoon Joo, Hae-Jung Lee, and Young Woon Woo
J. Comput. Theor. Nanosci. 7, 921-926 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Implementation of a Classification-Based Prediction Model for Plant mRNA Poly(A) Sites
Guoli Ji, Xiaohui Wu, Jiangyin Huang, and Qingshun Quinn Li
J. Comput. Theor. Nanosci. 7, 927-932 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]


 Volume 7, Number 4 ( April 2010) pp.643-801

A SPECIAL ISSUE
A Special Issue on Nematic Liquid Crystalline Polymers and Nanocomposites
Guest Editors: Hong Zhou, M. Gregory Forest, and Hongyun Wang
J. Comput. Theor. Nanosci. 7, 643-644 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

REVIEW
Mathematical Studies and Simulations of Nematic Liquid Crystal Polymers and Nanocomposites
Hong Zhou, M. Gregory Forest, and Hongyun Wang
J. Comput. Theor. Nanosci. 7, 645-660 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

RESEARCH ARTICLES
Rubik Cylinder Model for Dendronized Polymers
Yi Ding and Martin Kröger
J. Comput. Theor. Nanosci. 7, 661-674 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

The Onsager Equation for Corpora
Peter Constantin
J. Comput. Theor. Nanosci. 7, 675-682 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Dynamic Simulation of Capillary Breakup of Nematic Fibers: Molecular Orientation and Interfacial Rupture
Chunfeng Zhou, Pengtao Yue, and James J. Feng
J. Comput. Theor. Nanosci. 7, 683-692 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Phase Transitions of a Rigid-Rod Solution in a Thin Slit
Micah J. Green, Robert A. Brown, and Robert C. Armstrong
J. Comput. Theor. Nanosci. 7, 693-699 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Multiscale Analysis of Stationary and Flowing Media with Particle Inclusion
Y. W. Kwon, J. AlRowaijeh, and D. Kidd
J. Comput. Theor. Nanosci. 7, 700-708 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Electric-Field Induced Transitions in a Cholesteric Liquid-Crystal Film with Negative Dielectric Anisotropy
E. C. Gartland, Jr., H. Huang, O. D. Lavrentovich, P. Palffy-Muhoray, I. I. Smalyukh, T. Kosa, and B. Taheri
J. Comput. Theor. Nanosci. 7, 709-725 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Multiscale Modeling of Crystallization Morphologies in High Speed Fiber Spinning of Semicrystalline Polymers
Joydeep Mukherjee and Antony N. Beris
J. Comput. Theor. Nanosci. 7, 726-737 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Phase Diagram of Nematic Polymer Monolayers with the Onsager Interaction Potential
Hongyun Wang and Hong Zhou
J. Comput. Theor. Nanosci. 7, 738-755 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

On Some Probability Density Function Based Moment Closure Approximations of Micro-Macro Models for
Viscoelastic Polymeric Fluids

YunKyong Hyon, Qiang Du, and Chun Liu
J. Comput. Theor. Nanosci. 7, 756-765 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Modeling Approaches to the Dynamics of Hydrogel Swelling
M. C. Calderer, B. Chabaud, S. Lyu, and H. Zhang
J. Comput. Theor. Nanosci. 7, 766-779 (2010)
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Rheology of a Dilute Suspension of Spheres in a Viscoelastic Fluid Under Large Amplitude Oscillations
Gaetano D'Avino, Martien A. Hulsen, Francesco Greco, and Pier Luca Maffettone
J. Comput. Theor. Nanosci. 7, 780-786 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

A Simple Model for Non-Topological Defects in Sheared Nematic Polymer Monodomains
Eric P. Choate, M. Gregory Forest, Lingxing Yao, Xiaoyu Zheng, and Ruhai Zhou
J. Comput. Theor. Nanosci. 7, 787-794 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Layer Undulations in Smectic A Liquid Crystals
Carlos J. García-Cervera and Sookyung Joo
J. Comput. Theor. Nanosci. 7, 795-801 (2010)
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 Volume 7, Number 3 ( March 2010) pp.503-641

REVIEW
Molecular Electronics Devices: A Short Review
Jordan Del Nero, Fabrício M. de Souza, and Rodrigo B. Capaz
J. Comput. Theor. Nanosci. 7, 503-516 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

RESEARCH ARTICLES
Tunable Core Size of Carbon Nanoscrolls
Xinghua Shi, Nicola M. Pugno, and Huajian Gao
J. Comput. Theor. Nanosci. 7, 517-521 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Energy-Dependant Irradiation-Induced Nanostructure Formation in Amorphous Germanium
Kun-Dar Li, Alejandro Perez-Bergquist, Qiangmin Wei, Lumin Wang, and Wei Lu
J. Comput. Theor. Nanosci. 7, 522-527 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Study on Transport Characteristics of Silicon-Germanium Nanowire MOSFETs with Core-Shell Structure
Yue Fu, Lining Zhang, Jin He, Chenyue Ma, Lin Chen, and Yiwen Xu
J. Comput. Theor. Nanosci. 7, 528-535 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Effect of Metal Substitution on the Electronic Properties of Fullerene and Fulleropyrrolidine
Hanan Elhaes, Afaf Babaier, and Medhat Ibrahim
J. Comput. Theor. Nanosci. 7, 536-541 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Spectral Method for Solving Differential Equation of Gas Flow Through a Micro-Nano Porous Media
Amir Taghavi, Koroush Parand, Alireza Shams, and Hadi Ghezel Sofloo
J. Comput. Theor. Nanosci. 7, 542-546 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Enhancement of Hydrogen Evolution on Tungsten Doped Platinum
Hui Pan, Yuan Ping Feng, and Jianyi Lin
J. Comput. Theor. Nanosci. 7, 547-551 (2010)
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First-Principles Study on Hydrogen Storage in Single Walled Carbon Nanotube Functionalized with Ammonia
V. J. Surya, K. Iyakutti, M. Rajarajeswari, and Y. Kawazoe
J. Comput. Theor. Nanosci. 7, 552-557 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Conductive and Superconductive Properties of Nanorods
Bratislav Toši?, Miroljub Ðuri?, Vjekoslav Sajfert, and Gavrilo Ðuri?
J. Comput. Theor. Nanosci. 7, 558-561 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Analysis of a Nanofilm of the Mercaptophenyl Diazonium Modified Gold Electrode Within
New Statistical Parameters

Raoul R. Nigmatullin, Dumitru Baleanu, Erdal Dinç, Zafer Üstünda?, Ali Osman Solak, and Roman V. Kargin
J. Comput. Theor. Nanosci. 7, 562-570 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Control of Nanoparticle Growth in High Temperature Reactor: Application of Reduced Population
Balance Model

Oluranti Sadiku and Andrei Kolesnikov
J. Comput. Theor. Nanosci. 7, 571-576 (2010)
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Nanoscopic Modelling of the Mechanical Properties of an Al-Si Alloy
J. Davoodi and H. Rafii-Tabar
J. Comput. Theor. Nanosci. 7, 577-582 (2010)
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A Precise Model to Predict the Structural and Elastic Properties of Single-Walled Carbon Nanotubes
Yuzhou Sun and K. M. Liew
J. Comput. Theor. Nanosci. 7, 583-593 (2010)
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A Mesoscopic Ring as a NOT Gate: An Exact Result
Santanu K. Maiti
J. Comput. Theor. Nanosci. 7, 594-599 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Initial Stages of Ag Adsorption on Si(111)-7 x 7 Surface
Xiu-Zhu Lin, Yinghui Zhou, Jing Li, and Qi-Hui Wu
J. Comput. Theor. Nanosci. 7, 600-603 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Kinetic Lattice Monte Carlo Simulations of Vacancy Diffusion in Silicon Below the Melting Point
Jeong-Won Kang, Oh Kuen Kwon, Sangkil Lee, Sang Hun Lee, Do Hyun Kim, and Ho-Jung Hwang
J. Comput. Theor. Nanosci. 7, 604-611 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Geometries and Physical Properties of WnNim (n + m 7) Clusters
Conghua Gao and Xiurong Zhang
J. Comput. Theor. Nanosci. 7, 612-618 (2010)
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A Binary Coding Method for RNA Secondary Structure Alignment
Xuyu Xiang, Bo Liao, Dafang Zhang, and Jiawei Luo
J. Comput. Theor. Nanosci. 7, 619-622 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Effects on UV Spectrum of Caffeine by Cluster and Polarized Continuum Model
Gunar V. S. Mota and Antônio M. J. C. Neto
J. Comput. Theor. Nanosci. 7, 623-626 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Extended Version of Carrier-Based Analytical Model to Account for the Doped Effect of
Symmetric Double-Gate MOSFETs

Yue Fu, Lining Zhang, Xingyue Zhou, and Jin He
J. Comput. Theor. Nanosci. 7, 627-633 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Optical Characteristics of Rhombic Hybrid Au-Ag Nanostructures Calculated by Discrete Dipole
Approximation Method

Shaoli Zhu and Wei Zhou
J. Comput. Theor. Nanosci. 7, 634-637 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Improved Lower Bounds for DNA Coding
Bin Wang, Qiang Zhang, Rui Zhang, and Chunxia Xu
J. Comput. Theor. Nanosci. 7, 638-641 (2010)
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 Volume 7, Number 2 ( February 2010) pp. 303-501

REVIEWS
Natural Computing Paradigms for Predictable Nanoelectronics
V. P. Shmerko and S. N. Yanushkevich
J. Comput. Theor. Nanosci. 7, 303-324 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Optimal Tooltip Trajectories in a Hydrogen Abstraction Tool Recharge Reaction Sequence for
Positionally Controlled Diamond Mechanosynthesis

Denis Tarasov, Natalia Akberova, Ekaterina Izotova, Diana Alisheva, Maksim Astafiev, and Robert A. Freitas, Jr.
J. Comput. Theor. Nanosci. 7, 325-353 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

RESEARCH ARTICLES
Graphene Nanocutting Through Nanopatterned Vacancy Defects
Rhonda Jack, Dipanjan Sen, and Markus J. Buehler
J. Comput. Theor. Nanosci. 7, 354-359 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Modeling Strain Localization Bands in Metal Foams
K. E. Aifantis, A. Konstantinidis, and S. Forest
J. Comput. Theor. Nanosci. 7, 360-366 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Partial Slip Contact Problem in a Graded Half Plane
I. Kallel-Kamoun, R. Elloumi, and S. El-Borgi
J. Comput. Theor. Nanosci. 7, 367-378 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Confined Liquid Flow in Nanotube: A Numerical Study and Implications for Energy Absorption
Jianbing Zhao, Yu Qiao, Patricia J. Culligan, and Xi Chen
J. Comput. Theor. Nanosci. 7, 379-387 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Image Encryption Based on Chaotic Map and DNA Coding
Qian Wang, Qiang Zhang, Xiaopeng Wei, Xianglian Xue, and Ling Guo
J. Comput. Theor. Nanosci. 7, 388-393 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

The Graph-Theoretical Descriptors for Carbon Nanotubes (CNTs): Sadhana (Sd) Index of Phenylene (PH) and
Its Hexagonal Squeeze (HS)

Sufia Aziz, Padmakar V. Khadikar, and Peter E. John
J. Comput. Theor. Nanosci. 7, 394-396 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

An Image Fusion Encryption Algorithm Based on DNA Sequence and Multi-Chaotic Maps
Xianglian Xue, Qiang Zhang, Xiaopeng Wei, Ling Guo, and Qian Wang
J. Comput. Theor. Nanosci. 7, 397-403 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Recognition of Atomically-Resolved STM Images of Graphite
Maofa Wang, Xiaoping Zou, Jin Cheng, Guang Zhu, Yi Su, Gangqiang Yang, and Xueming Lü
J. Comput. Theor. Nanosci. 7, 404-407 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Interaction Between NO2 and an Elongated Fullerene C60
Flavio F. Contreras-Torres, Vladimir A. Basiuk, and Elena V. Basiuk
J. Comput. Theor. Nanosci. 7, 408-413 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

R-(-)Linalool UV Spectroscopy: The Experimental and Theoretical Study
Antônio M. J. C. Neto, G. V. S. Mota, Rosivaldo S. Borges, and M. L. S. Albuquerque
J. Comput. Theor. Nanosci. 7, 414-417 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Modeling Light Reflection from Polyacrylonitrile Nanofiber
A. Shams-Nateri
J. Comput. Theor. Nanosci. 7, 418-422 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Introducing Structural Approximation Method for Modeling Nanostructures
Kasra Momeni and Aria Alasty
J. Comput. Theor. Nanosci. 7, 423-428 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

A SPECIAL SECTION
A Special Section on Electronic Properties of Low Dimensional Systems
Guest Editor: Sotirios Baskoutas
J. Comput. Theor. Nanosci. 7, 429 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

REVIEWS
Quantum Ballistic Conduction in Quasi-One-Dimensional Systems
Vassilios Vargiamidis and Hariton M. Polatoglou
J. Comput. Theor. Nanosci. 7, 430-453 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Numerical Calculations of the Quantum States in Semiconductor Nanostructures
Marcos H. Degani and Marcelo Z. Maialle
J. Comput. Theor. Nanosci. 7, 454-473 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

RESEARCH ARTICLES
Effect of Surfaces and Interfaces on the Electronic, Magnetic and Gap-Related Properties of
the Half-Metal Co2MnSn

I. Galanakis
J. Comput. Theor. Nanosci. 7, 474-478 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Generalized versus Selected Descriptions of Quantum LC-Circuits
E. Papp, C. Micu, and O. Borchin
J. Comput. Theor. Nanosci. 7, 479-485 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Interband Absorption in a Narrowband InSb Cylindrical Quantum Dots in Presence of the Magnetic Field
E. M. Kazaryan, A. V. Meliksetyan, and H. A. Sarkisyan
J. Comput. Theor. Nanosci. 7, 486-491 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Binding Energy of Hydrogenic Impurity States in an Inverse Parabolic Quantum Well Under
Electric and Magnetic Fields Parallel to the Growth Direction

Sotirios Baskoutas and Andreas F. Terzis
J. Comput. Theor. Nanosci. 7, 492-497 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Effects of Initial Conditions in Population Dynamics of a Double Quantum Dot
Evangelos Voutsinas
J. Comput. Theor. Nanosci. 7, 498-501 (2010)
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 Volume 7, Number 1 ( January 2010) pp.1 - 301

REVIEWS
Finite-Difference Time-Domain Methods and Material Models for the Simulation of Metallic and
Plasmonic Structures

Wolfram H. P. Pernice
J. Comput. Theor. Nanosci. 7, 1-14 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

The Research of Nanoscience Progress
Vjekoslav Sajfert and Bratislav Tošic
J. Comput. Theor. Nanosci. 7, 15-84 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Characterization of Micro-/Nano-Scale Ice Crystal Formation in Cryo-Biomedical Engineering: A Review
Fang-Fang Li and Jing Liu
J. Comput. Theor. Nanosci. 7, 85-96 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

RESEARCH ARTICLES
Molecular Dynamics Simulations of Dynamic Friction and Mixing at Rapidly Moving Material Interfaces
N. Epiphaniou, M. Kalweit, D. Drikakis, G. Ball, and N. Park
J. Comput. Theor. Nanosci. 7, 97-106 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Compact Negative Bias Temperature Instability Model for Silicon Nanowire MOSFET (SNWT) and
Application in Circuit Performance Simulation

Chenyue Ma, Bo Li, Hao Wang, Xing Zhang, and Jin He
J. Comput. Theor. Nanosci. 7, 107-114 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

The Photoemission from Quantum Wells, Wires and Carbon Nanotubes: Simplified Theory and
Relative Comparison

A. Kumar, S. Chowdhury, S. M. Adhikari, S. Ghosh, M. Mitra, D. De, A. Sharma, S. Bhattacharya,
A. Dey, and K. P. Ghatak

J. Comput. Theor. Nanosci. 7, 115-145 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Computational Modeling of the Collective Stochastic Motion of Kinesin Nano Motors
Y. Jamali, M. E. Foulaadvand, and H. Rafii-Tabar
J. Comput. Theor. Nanosci. 7, 146-152 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Tautomerism and Radical-Scavenging Activity of Edaravone by DFT Methods
IAuriekson N. Queiroz, Anna P. S. Mendes, Magno S. Leal, Antonio M. J. Chaves Neto, and Rosivaldo S. Borges
J. Comput. Theor. Nanosci. 7, 153-156 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

An Analytic Gradient-Based Inverse Lithography Approach for Partially-Coherent
Double-Exposure Lithography

Wei Xiong, Jinyu Zhang, Min-Chun Tsai, Yan Wang, and Zhiping Yu
J. Comput. Theor. Nanosci. 7, 157-164 (2010)
[Abstract] [Full Text - PDF] [Purchase Article]

Application of DNA Self-Assembly on 0-1 Integer Programming Problem
Xuncai Zhang, Ying Niu, Guangzhao Cui, and Jin Xu
J. Comput. Theor. Nanosci. 7, 165-172 (2010)
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Subtraction in the DNA Tile Assembly Model
Dongming Zhao, Xiangrong Liu, and Xiaoli Qiang
J. Comput. Theor. Nanosci. 7, 173-175 (2010)
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Temperature Dependent Effective Embedded Atom Method Potential for Steady State High
Temperature Applications

Arun K. Subramaniyan and C. T. Sun
J. Comput. Theor. Nanosci. 7, 176-181 (2010)
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Structural, Electronic and Spectroscopic Properties of Non-IPR Fullerene C54 (C2v) and Its Derivatives:
C54X8 (X H, F, Cl, Br)

Chen-Wei Jiang, Rui-Hua Xie, Fu-Li Li, and Yi-Long Chen
J. Comput. Theor. Nanosci. 7, 182-198 (2010)
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Energetic and Structural Analysis of 102-Atom Pd-Pt Nanoparticles: A Composition-Dependent Study
Rafael Pacheco-Contreras, Alvaro Arteaga-Guerrero, Dora J. Borbón-González, Alvaro Posada-Amarillas,
J. Christian Schön, and Roy L. Johnston

J. Comput. Theor. Nanosci. 7, 199-204 (2010)
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Theoretical UV Spectroscopy Proprieties of Methylxanthines
G. V. S. Mota and A. M. J. C. Neto
J. Comput. Theor. Nanosci. 7, 205-208 (2010)
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DNA Encoding Based on Helix Twist Angle Distance
Qiang Zhang and Shihua Zhou
J. Comput. Theor. Nanosci. 7, 209-212 (2010)
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Kinetics of Single DNA Compaction by Hexaammine Cobalt Chloride
Wenbo Fu, Hu Chen, Ming Li, and Jie Yan
J. Comput. Theor. Nanosci. 7, 213-217 (2010)
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Hybrid Thermodynamic/Cellular Automaton Modeling for Temperature-Varying Grain Growth of
Nanocrystalline Metals

Jun Wei, Xiaoyan Song, Chuan Huang, Wenwu Xu, and Qingchao Han
J. Comput. Theor. Nanosci. 7, 218-223 (2010)
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Computational Notes on Fullerene Based System as HIV-1 Protease Inhibitors
Medhat Ibrahim, Noha A. Saleh, Wael M. Elshemey, and Anwar A. Elsayed
J. Comput. Theor. Nanosci. 7, 224-227 (2010)
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Phase Photon Sieve
Wenbo Jiang, Song Hu, Lixin Zhao, Wei Yan, and Yong Yang
J. Comput. Theor. Nanosci. 7, 228-231 (2010)
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Structural and Electronic Properties of Sulfuric Acid-Doped Single-Walled Carbon Nanotube
Ji Il Choi and Seung Soon Jang
J. Comput. Theor. Nanosci. 7, 232-236 (2010)
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Acceptor Binding Energies in a GaMnAs Quantum Well
J. Ebenezar, N. Radhakrishnan, and A. John Peter
J. Comput. Theor. Nanosci. 7, 237-241 (2010)
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Interaction Between Nano Circular Particles Suspended in a Hard-Ellipse Fluid, Solvation Force in
Two-Dimensions

Mahmood Moradi, Afshin Montakhab, and Fardin Taghizadeh
J. Comput. Theor. Nanosci. 7, 242-245 (2010)
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3D DNA Self-Assembly Model for Graph Vertex Coloring
Minqi Lin, Jin Xu, Dafang Zhang, Zhihua Chen, Xuncai Zhang, Zhen Cheng, Yufang Huang, and Yanbiao Li
J. Comput. Theor. Nanosci. 7, 246-253 (2010)
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Structure and Properties of (GaAs)n Clusters
G. L. Gutsev, M. D. Mochena, B. C. Saha, C. A. Weatherford, and P. A. Derosa
J. Comput. Theor. Nanosci. 7, 254-263 (2010)
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Surface Plasmon Polariton-Based Nanophotonic Directional Coupler
Xiuli Zhou, Yongqi Fu, Zhenghao Li, Zongrui Deng, and Shiyong Wang
J. Comput. Theor. Nanosci. 7, 264-268 (2010)
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Nanoparticle's Size Effect on Its Translocation Across a Lipid Bilayer: A Molecular Dynamics Simulation
Xubo Lin, Yang Li, and Ning Gu
J. Comput. Theor. Nanosci. 7, 269-276 (2010)
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An Ant Colony Pairwise Alignment Based on the Simplified Grid
Xinyuan Zhou, Dachao Li, Jiawei Luo, and Ping Zhang
J. Comput. Theor. Nanosci. 7, 277-280 (2010)
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Induced Light Emission from Quantum Dots: The Directional Near-Field Pattern
Igor Iezhokin, Ole Keller, and Valeri Lozovski
J. Comput. Theor. Nanosci. 7, 281-288 (2010)
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Decreasing of Depth of Implanted-Junction Rectifier in Semiconductor Heterostructure by
Optimized Laser Annealing

E. L. Pankratov
J. Comput. Theor. Nanosci. 7, 289-295 (2010)
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Effect of Transition Metal Doping on Hydrogenated Germanium Nanocages: A Density
Functional Investigation

Manish Kumar, Bandhan Jot Singh, Shantan Kajjam, and Debashis Bandyopadhyay
J. Comput. Theor. Nanosci. 7, 296-301 (2010)
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ERRATUM
On the Structural Analyses and Electronic Properties of Chitosan/Hydroxyapatite Interaction
(Journal of Computational and Theoretical Nanoscience, Vol. 6, pp. 1663-1669 (2009))

El-Sayed M. El-Sayed, Amina Omar, Medhat Ibrahim, and Wafa I. Abdel-Fattah
J. Comput. Theor. Nanosci. 7, (i) (2010)
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