Titles in Nanotechnology
Book Series


Encyclopedia of Nanoscience
and Nanotechnology

Vols. 1-10


Handbook of Theoretical and
Computational Nanotechnology

Vols. 1-10


Handbook of Semiconductor
Nanostructures and Nanodevices

Vols. 1-5




Handbook of Nanostructured
Biomaterials and Their Applications
in Nanobiotechnology,
Vols. 1-2




Polymeric Nanostructures
and Their Applications

Vols. 1-2




Handbook of Organic-Inorganic
Hybrid Materials and
Nanocomposites,
Vols. 1-2




Functional Nanomaterials


Molecular Nanoelectronics



Magnetic Nanostructures



Quantum Dots and Nanowires



Synthesis, Functionalization
and Surface Treatment
of Nanoparticles




Nanoclusters and Nanocrystals



Nanotoxicology



Cancer Nanotechnology



Nanoparticles for
Pharmaceutical Applications




 
Journal of Computational and Theoretical Nanoscience

 Volume 4, Number 7/8 ( Nov./Dec. 2007) pp.1219-1455


PREFACE
A Special Issue on Bio-Inspired Computing: Theories and Applications
Guest Editors: Yongli Mi, Guangzhao Cui, Ning Li, Linqiang Pan, and Yan-Feng Wang
J. Comput. Theor. Nanosci. 4, (i–ii) (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

REVIEW
A Review on DNA Computing Models
Jin Xu and Gangjun Tan
J. Comput. Theor. Nanosci. 4, 1219–1230 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

RESEARCH ARTICLES
Linear Constructions for Hamming Distance of DNA Codes
Xiangou Zhu, Wenbing Liu, Chuan Sun, and Wenguo Wu
J. Comput. Theor. Nanosci. 4, 1231–1236 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Maximum Likelihood Estimation and Forecasting of DNA Sequence with Missing Values
Gao Jie, Xu Zhen-Yuan, and Zhang Li-Ting
J. Comput. Theor. Nanosci. 4, 1237–1242 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Plasmid Resolving the Satisfiability Problem with DNA Computing Models
Zhi-Xiang Yin, Jian-Zhong Cui, Wenbin Liu, Xiao-Hong Shi, and Jin Xu
J. Comput. Theor. Nanosci. 4, 1243–1248 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

DNA Encodings Based on Multi-Objective Particle Swarm
Shihua Zhou, Qiang Zhang, Jing Zhao, and Jinsong Li
J. Comput. Theor. Nanosci. 4, 1249–1252 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

A Recursive Molecular Sticker Algorithm for the Maximal Clique Problem
Xiutang Geng, Jianhua Xiao, and Jin Xu
J. Comput. Theor. Nanosci. 4, 1253–1256 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

An Improved Hopfield Neural Network Algorithm for Computational Codeword Design
Yan-Feng Wang, Guang-Zhao Cui, Xun-Cai Zhang, and Bu-Yi Huang
J. Comput. Theor. Nanosci. 4, 1257–1262 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

DNA-Based Efficient Evaluation of the S-Boxes’ Resistance to Differential Cryptanalysis
Zhihua Chen, Xiutang Geng, Jianhua Xiao, and Xuncai Zhang
J. Comput. Theor. Nanosci. 4, 1263–1268 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Application of Local Activity Theory to Chaotic Chemical Reaction Model
Huaiqing Huang, Lequan Min, and Yongmei Su
J. Comput. Theor. Nanosci. 4, 1269–1273 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

An Linear Matrix Inequality Approach to the Global Asymptotic Stability for Delayed Cellular Neural Networks
Qiang Zhang, Xiaopeng Wei, and Guangzhao Cui
J. Comput. Theor. Nanosci. 4, 1274–1277 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Efficient Numerical Methods for Solving the Membrane Equations of Human Ventricular Cell Model
Yu Zhang, Ling Xia, Yinglan Gong, and Jianhong Dou
J. Comput. Theor. Nanosci. 4, 1278–1282 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

An Ant Colony Algorithm with Global Adaptive Optimization
Jian Wang, Yanheng Liu, and Daxin Tian
J. Comput. Theor. Nanosci. 4, 1283–1289 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Value Approximation with Least Squares Support Vector Machine in Reinforcement Learning System
Xuesong Wang, Xilan Tian, and Yuhu Cheng
J. Comput. Theor. Nanosci. 4, 1290–1294 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

The Electric Interaction of Myosin VI During Its Directional Motion
Chenpu Li, Yingrong Han, Yong Zhan, Tongjun Zhao, and Xiuxin Zhang
J. Comput. Theor. Nanosci. 4, 1295–1300 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Competition Algorithm of Simulating Natural Tree Growth and Its Application in Curve Fitting
Gaiwen Guo and Kama Huang
J. Comput. Theor. Nanosci. 4, 1301–1304 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Stochastic Simulations in the Dynamical Model of p53-Mdm2 Feedback Loop Regulated by p14/19ARF
Hui Liu, Yingrong Han, Yong Zhan, Yuhong Zhang, Changqing Yuan, Yuzhi Liu, Tongjun Zhao, and Yizhong Zhuo
J. Comput. Theor. Nanosci. 4, 1305–1310 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

A Quantum Chemical and Statistical Study of Benzoic Acid Derivatives with Inhibiting Tyrosinase Activity
Rong Lu, Haixia Ma, Weiping Liu, Biao Yan, and Jirong Song
J. Comput. Theor. Nanosci. 4, 1311–1315 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

SIWO: A Hybrid Algorithm Combined with the Conventional SCE and Novel IWO
Xuncai Zhang, Yunlong Wang, Guangzhao Cui, and Yanfeng Wang
J. Comput. Theor. Nanosci. 4, 1316–1323 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

PSPhos: PK-Specific Phosphorylation Site Prediction Using Profile SVM
Ming-Hui Wang, Chun-Hua Li, Wei-Zu Chen, and Cun-Xin Wang
J. Comput. Theor. Nanosci. 4, 1324–1329 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Bioinformatics Analysis of Mutant Structure and Functional Sites of Foot-and-Mouth Disease Virus RNA-Dependent RNA Polymerase
Tao Zeng and Zhongxi Mo
J. Comput. Theor. Nanosci. 4, 1330–1336 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Predicting Protein Function Based on the Topological Structure of Protein Interaction Networks
Dengdi Sun and Maolin Hu
J. Comput. Theor. Nanosci. 4, 1337–1343 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Multi-Level Immunity-Based Intrusion Detection and Risk Evaluation Model
Caiming Liu, Tao Li, Lingxi Peng, Jinquan Zeng, Hui Zhao, and Zhengtian Lu
J. Comput. Theor. Nanosci. 4, 1344–1350 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Interactions of Ligands with Class-II HMG-CoA Reductase of Streptococcus Pneumoniae by
Homology Modeling and Molecular Dynamic Simulations

Qing Y. Zhang, Kai Liu, Guzhen Cui, Xiang Y. Lin, Jian Wan, and De l. Liu
J. Comput. Theor. Nanosci. 4, 1351–1357 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Comparing the Structures of Protein–Protein Interfaces Using Similarity Search Based on Histograms
Junping Xiang and Maolin Hu
J. Comput. Theor. Nanosci. 4, 1358–1364 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Modeling Plant mRNA Poly(A) Sites: Software Design and Implementation
Guoli Ji, Xiaohui Wu, Jianti Zheng, Yingjia Shen, and Qingshun Quinn Li
J. Comput. Theor. Nanosci. 4, 1365–1368 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

A Fast Approach to Protein Structure Alignment
Hong Fang, Junping Xiang, and Maolin Hu
J. Comput. Theor. Nanosci. 4, 1369–1374 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

A Novel Optical Fiber Bundle Displacement Sensor Based on Artificial Neural Networks
Cui Lujun, Chen Youping, Zhang Gang, and Zhou Zude
J. Comput. Theor. Nanosci. 4, 1375–1379 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Probabilistic Dominance-Based Multi-Objective Immune Optimization Algorithm in Noisy Environments
Zhuhong Zhang and Xin Tu
J. Comput. Theor. Nanosci. 4, 1380–1387 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

A Distributed Immune Agent System Modeling and Application
Chen Guangzhu, Zhu Zhencai, Gong Dunwei, and Shen Chunfeng
J. Comput. Theor. Nanosci. 4, 1388–1393 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

An Immune System-Inspired Paradigm for Anomaly Detection
Lingxi Peng, Tao Li, Xiaojie Liu, Yuefeng Chen, Caiming Liu, and Sunjun Liu
J. Comput. Theor. Nanosci. 4, 1394–1398
[Abstract] [Full Text - PDF] [Purchase Article]

An Immune Memory Clonal Strategy Algorithm
Liu Ruochen and Jiao Licheng
J. Comput. Theor. Nanosci. 4, 1399–1404 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Modelling and Constructing of Intelligent Physiological Engine Merging Artificial Life for Virtual Plants
Hongchun Qu, Qingsheng Zhu, Qingqing Deng, Lingqiu Zeng, and Liang Ge
J. Comput. Theor. Nanosci. 4, 1405–1411 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Modeling and Analyzing an Inductive Contactless Power Transfer System for Artificial Hearts Using the
Generalized State Space Averaging Method

Wan Fang, Houjun Tang, and Wei Liu
J. Comput. Theor. Nanosci. 4, 1412–1416 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Feature Subset Selection for Support Vector Machine Through Separability Assessment in
Kernel-Defined Feature Space

Yaohua Tang, Jinghuai Gao, Cunxiang Yang, and Xiaoliang Yang
J. Comput. Theor. Nanosci. 4, 1417–1425 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Improving the Performance of Bio-Entity Name Recognition in Biomedical Literature via the Contextual Cues
Zhihao Yang, Hongfei Lin, and Yanpeng Li
J. Comput. Theor. Nanosci. 4, 1426–1431 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Table of Contents to Volume 4, Number 1–8, 2007
J. Comput. Theor. Nanosci. 4, 1433–1439 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Author Index to Volume 4, Number 1–8, 2007
J. Comput. Theor. Nanosci. 4, 1440–1449 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Subject Index to Volume 4, Number 1–8, 2007
J. Comput. Theor. Nanosci. 4, 1450–1455 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]


 Volume 4, Number 6 ( September 2007)


REVIEW
Optical Properties and Charge Transport in Quantum Wires
G. P. Triberis
J. Comput. Theor. Nanosci. 4, 1083–1102 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

RESEARCH ARTICLES
Non-Covalent Conjugation of Nanoparticles to Antibodies via Electrostatic Interactions—A Computational Model
Igor A. Sidorov, Ponraj Prabakaran, and Dimiter S. Dimitrov
J. Comput. Theor. Nanosci. 4, 1103–1107 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Novel Nanotube-Coordinated Platinum Complexes
Charles See Yeung, Lei Vincent Liu, and Yan Alexander Wang
J. Comput. Theor. Nanosci. 4, 1108–1119 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Schottky Wrap Gate Control of Semiconductor Nanowire Networks for Novel
Quantum Nanodevice-Integrated Logic Circuits Utilizing BDD Architecture

Seiya Kasai, Tatsuya Nakamura, Yuta Shiratori, and Takahiro Tamura
J. Comput. Theor. Nanosci. 4, 1120–1132 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

The Nanoscale Boundary Layer and Nanoscale Vortex Core
Percival D. McCormack
J. Comput. Theor. Nanosci. 4, 1133–1139 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Monte Carlo Simulations for Carbon Nanotubes Intercalated with Different Atomic Species
O. V. Mykhailenko, D. Hui, Y. M. Strzhemechny, D. Matsui, Yu. I. Prylutskyy, and P. Eklund
J. Comput. Theor. Nanosci. 4, 1140–1143 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Two Dimensional Analytical Potential Modeling of Nanoscale Symmetric Double Gate (SDG) MOSFET with
Ultra Thin Body (UTB)

Santosh Kumar Vishvakarma, Vinit Agrawal, Balwinder Raj, S. Dasgupta, and A. K. Saxena
J. Comput. Theor. Nanosci. 4, 1144–1148 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Semiconductor Device Scaling: The Role of Ballistic Transport
D. K. Ferry, R. Akis, and M. J. Gilbert
J. Comput. Theor. Nanosci. 4, 1149–1152 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Kinetic Monte Carlo Simulations of the Response of Carbon Nanotubes to Electron Irradiation
J. Kotakoski, A. V. Krasheninnikov, and K. Nordlund
J. Comput. Theor. Nanosci. 4, 1153–1159 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Performance Evaluation of n-Type Carbon Nanotube Field Effect Transistors Using Ca as Contact Electrodes
Aurangzeb Khan, A. Q. S. Shah, Mazen Al-Khatib, and Jihua Gou
J. Comput. Theor. Nanosci. 4, 1160–1165 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Expansion of the Applicability of the Modified Embedded Atom Method to Non-Bulk Systems
Yingchen Yin, Kunio Takahashi, Kento Tokumaru, Shigeki Saito, and Pasomphone Hemthavy
J. Comput. Theor. Nanosci. 4, 1166–1173 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Balaban Index of Zigzag Polyhex Nanotorus
Mehdi Eliasi and Bijan Taeri
J. Comput. Theor. Nanosci. 4, 1174–1178 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Multifunctional Poly(amidoamine) Dendrimer-Taxol Conjugates: Synthesis, Characterization and Stability
Xiangdong Bi, Xiangyang Shi, István J. Majoros, Rameshwer Shukla, and James R. Baker, Jr.
J. Comput. Theor. Nanosci. 4, 1179–1187 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Velocity Field Solutions for Nanofibers in a Template
Yong X. Gan
J. Comput. Theor. Nanosci. 4, 1188–1201 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Symmetry Property of Fullerenes
G. R. Vakili-Nezhaad, G. A. Mansoori, and A. R. Ashrafi
J. Comput. Theor. Nanosci. 4, 1202–1205 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Solution of the Poisson Equation for Two Dimensional Periodic Structures in an Overlapping
Localized Site Density Scheme

F. Tasnádi
J. Comput. Theor. Nanosci. 4, 1206–1217 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]


 Volume 4, Number 5 ( August 2007)


EDITORIAL
Selected Reviews
Wolfram Schommers, Editor-in-Chief
J. Comput. Theor. Nanosci. 4, (i–ii) (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

REVIEWS
Atomistic Studies of Mechanical Properties of Carbon Nanotubes
Xi Chen and Guoxin Cao
J. Comput. Theor. Nanosci. 4, 823–839 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Real-Space Density-Functional Calculations for Transport Properties of Nanostructures
Tomoya Ono and Kikuji Hirose
J. Comput. Theor. Nanosci. 4, 840–859 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Nanomechanical Shuttle Transfer of Electrons
R. I. Shekhter, L. Y. Gorelik, M. Jonson, Y. M. Galperin, and V. M. Vinokur
J. Comput. Theor. Nanosci. 4, 860–895 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Thermal Conduction Simulations in the Nanoscale
P. Heino
J. Comput. Theor. Nanosci. 4, 896–927 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Structural Properties and Stability of Nanoclusters
H. Üstünel and S. Erkoç
J. Comput. Theor. Nanosci. 4, 928–956 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Event-by-Event Simulation of Quantum Phenomena: Application to Einstein-Podolosky-Rosen-Bohm Experiments
H. De Raedt, K. De Raedt, K. Michielsen, K. Keimpema, and S. Miyashita
J. Comput. Theor. Nanosci. 4, 957–991 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Basic Quantum Theory for Nanoscience
Wolfram Schommers
J. Comput. Theor. Nanosci. 4, 992–1036 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Discrete Phase Space and Quantum Superfield Theory in Nanosystem Quantum Transport
Felix A. Buot
J. Comput. Theor. Nanosci. 4, 1037–1082 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]


 Volume 4, Number 4 ( June 2007)


REPORT
Directions in Theoretical and Computational Nanoscience
Wolfram Schommers
J. Comput. Theor. Nanosci. 4, 705–714 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

REVIEW
Strain Field Calculations in Embedded Quantum Dots and Wires
R. Maranganti and P. Sharma
J. Comput. Theor. Nanosci. 4, 715–738 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

RESEARCH ARTICLES
Silicon-Carbide Nanostructures to Nanotubes
M. N. Huda, Leonard Kleinman, and Asok K. Ray
J. Comput. Theor. Nanosci. 4, 739–744 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Carbon Nanotube and Iron Circle as Molecular Motor Controlled by Visible Light
A. M. J. C. Neto
J. Comput. Theor. Nanosci. 4, 745–748 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Decoherence and Quantum Transport in Nanodevices
I. Knezevic
J. Comput. Theor. Nanosci. 4, 749–760 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

PI and Szeged Indices of One-Pentagonal Carbon Nanocones
Ali Reza Ashrafi and Hamid Saati
J. Comput. Theor. Nanosci. 4, 761–763 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Structural and Electronic Properties of Defected Carbon Nanocapsules
Rengin Peköz and Sakir Erkoç
J. Comput. Theor. Nanosci. 4, 764–771 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Renormalization of Resonant Tunneling in MOSFETs
D. Mozyrsky, I. Martin, M. B. Hastings, and A. Shnirman
J. Comput. Theor. Nanosci. 4, 772–776 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Atomic and Molecular Oxygen Adsorption on Sodium Nanoclusters
Seifollah Jalili and Roya Majidi
J. Comput. Theor. Nanosci. 4, 777–782 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Analysis and Structure of Decoder for Highly Integrated Polymer Memory
Jung-Ha Kim and Sang-Sun Lee
J. Comput. Theor. Nanosci. 4, 783–786 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Molecular Interaction of H2, N2, and HF Molecules with the Silicon Carbide (SiC)n– 5–9 Clusters:
A Theoretical Study

R. Shankar, P. Kolandaivel, V. Nirmala, and Sa. K. Narayandass
J. Comput. Theor. Nanosci. 4, 787–796 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

PREFACE
A Special Section on Computational Micro- and Nanofluidics
Guest Editor: Dimitris Drikakis, Cranfield University, United Kingdom
J. Comput. Theor. Nanosci. 4, i–ii (2007)
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RESEARCH ARTICLES
Toward a Mesoscale Model for the Dynamics of Polymer Solutions
G. H. Miller and D. Trebotich
J. Comput. Theor. Nanosci. 4, 797–801 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Interface Capturing in Dual-Flow Microfluidics
Evgeniy Shapiro, Dimitris Drikakis, Joseph Gargiuli, and Pankaj Vadgama
J. Comput. Theor. Nanosci. 4, 802–806 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Computing the Near-Wall Region in Gas Micro- and Nanofluidics: Critical Knudsen Layer Phenomena
Jason M. Reese, Yingsong Zheng, and Duncan A. Lockerby
J. Comput. Theor. Nanosci. 4, 807–813 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Design of Micro-Fluidic Bio-Reactors Using Topology Optimization
Fridolin Okkels and Henrik Bruus
J. Comput. Theor. Nanosci. 4, 814–816 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Effects of Rarefaction on Cavity Flow in the Slip Regime
Simon Mizzi, David R. Emerson, Stefan K. Stefanov, Robert W. Barber, and Jason M. Reese
J. Comput. Theor. Nanosci. 4, 817–822 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]


 Volume 4, Number 3 ( May 2007)


REVIEWS
DNA Modeling within Ab Initio and Empirical Methods
I. Cozmuta and H. Mehrez
J. Comput. Theor. Nanosci. 4, 349–383 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Logic Design of Computational Nanostructures
Svetlana N. Yanushkevich
J. Comput. Theor. Nanosci. 4, 384–407 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Electron Transport in Quantum Waveguides
J. B. Wang and S. Midgley
J. Comput. Theor. Nanosci. 4, 408–432 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

RESEARCH ARTICLES
Horizontal Ge-Substituted Polymantane-Based C2 Dimer Placement Tooltip Motifs for
Diamond Mechanosynthesis

Robert A. Freitas Jr., Damian G. Allis, and Ralph C. Merkle
J. Comput. Theor. Nanosci. 4, 433–442 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

An Ab Initio Computational Study of Atomic Adsorption on
GaAs Surfaces Modeled by Nanoclusters

Michael L. Mayo and Asok K. Ray
J. Comput. Theor. Nanosci. 4, 443–452 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Ultraviolet Optical Absorption Spectra of Water Clusters: From Molecular
Dimer to Nanoscaled Cage-Like Hexakaidecahedron

John R. H. Xie, Jijun Zhao, Tapas Kar, and Ralf Ludwig
J. Comput. Theor. Nanosci. 4, 453–466 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Spatial Systolic Arrays Design for Predictable Nanotechnologies
S. N. Yanushkevich
J. Comput. Theor. Nanosci. 4, 467–481 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Unified Compact Modeling of a Gate Tunneling Current Considering Image Force Induced Barrier
Lowering for a Nanoscale N-MOSFET

Ashwani Kumar and S. Dasgupta
J. Comput. Theor. Nanosci. 4, 482–487 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

A Molecular Dynamics Study of Laser-Assisted Cleaning: Energy Transfer
Medium-Contaminant Particle Interaction

Betul Unlusu, Kayne M. Smith, M. Yousuff Hussaini, Lev D. Gelb, and Susan D. Allen
J. Comput. Theor. Nanosci. 4, 488–493 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

An Integrated Simulation Environment Realizing the Ability of Nano-Photonic Crystals to Detect and
Quantify Submicron and Microdamage in Materials

M. M. Reda Taha, I. El-Kady, M. P. Sheyka, M. F. Su, T. A. Khraishi, A. I. El-Osery, and J. C. Verley
J. Comput. Theor. Nanosci. 4, 494–503 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Buckled Nano Rod—A Two State System and Its Dynamics
Aniruddha Chakraborty, Sayan Bagchi, and K. L. Sebastian
J. Comput. Theor. Nanosci. 4, 504–513 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Balaban Index of an Armchair Polyhex, TUC4C8(R) and TUC4C8(S) Nanotorus
Ali Iranmanesh and Ali Reza Ashrafi
J. Comput. Theor. Nanosci. 4, 514–517 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

DNA Conduction
Weihua Mu and Zhong-Can Ou-Yang
J. Comput. Theor. Nanosci. 4, 518–520 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Formation and Stability Conditions of DNA-Dendrimer Nano-Clusters
Ali Nikakhtar, Asadollah Nasehzadeh, and G. Ali Mansoori
J. Comput. Theor. Nanosci. 4, 521–528 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Study of Solid–Liquid Phase Changes of Lennard-Jones Nanoclusters by NPT Monte Carlo Simulations
Silvina M. Gatica, Xiao Dong, and Estela Blaisten-Barojas
J. Comput. Theor. Nanosci. 4, 529–534 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Carbon Nanotube Thin Film Field Emitting Diode: Understanding the System Response
Based on Multiphysics Modeling

N. Sinha, D. Roy Mahapatra, J. T. W. Yeow, R. V. N. Melnik, and D. A. Jaffray
J. Comput. Theor. Nanosci. 4, 535–549 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Einstein Relation in Quantum Wells and Nipi Structures of Nonlinear Optical, Optoelectronic and Related
Materials: Simplified Theory, Relative Comparison and Suggestion for an Experimental Determination

S. Mukherjee, S. N. Mitra, P. K. Bose, A. R. Ghatak, A. Neogi, J. P. Banerjee, A. Sinha, M. Pal,
S. Bhattacharya, and K. P. Ghatak

J. Comput. Theor. Nanosci. 4, 550–573 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

Carbon Nanotube Electronic Displacement Encoder with Sub-Nanometer Resolution
H. Jiang, M.-F. Yu, J.-Q. Lu, Y. Huang, H. T. Johnson, X.-G. Zhang, and P. Ferreira
J. Comput. Theor. Nanosci. 4, 574–577 (2007)
[Abstract] [Full Text - PDF] [Purchase Article]

The Effect of Defects on the Mechanical Behavior of Silver Shape Memory Nanowires
Changjiang Ji and Harold S. Park
J. Comput. Theor. Nanosci. 4, 578–587 (2007)
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Cluster Origin of the Transfer Phenomena of Single-Wall Carbon Nanotubes
Francisco Torrens and Gloria Castellano
J. Comput. Theor. Nanosci. 4, 588–603 (2007)
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PI Index of V-Phenylenic Nanotubes and Nanotori
H. Yousefi, A. Bahrami, J. Yazdani, and A. R. Ashrafi
J. Comput. Theor. Nanosci. 4, 604–605 (2007)
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Carbon Nanotubes as Gun and Molecular Motor
Jordan Del Nero and A. M. J. C. Neto
J. Comput. Theor. Nanosci. 4, 606–610 (2007)
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Carbon Nanotube and Ordinary Nanowire Track as Molecular Motor
A. M. J. C. Neto
J. Comput. Theor. Nanosci. 4, 611–613 (2007)
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A Practical V-Shaped Nano-Aperture Flanked with Surface Corrugations for Beam Focusing
Yongqi Fu, Wei Zhou, Lennie E. N. Lim, Chunlei Du, Haofei Shi, ChangTao Wang, and Xiangang Luo
J. Comput. Theor. Nanosci. 4, 614–618 (2007)
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Statistical and Dynamical Equivalence of Different Elementary Cells
Vjekoslav Sajfert, Stevo Jacimovski, Dušan Popov, and Bratislav Tošic
J. Comput. Theor. Nanosci. 4, 619–626 (2007)
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PREFACE
A Special Section on Numerical Methods for Optical Nanostructures
Guest Editor: Christian Hafner, ETH Zürich, Switzerland
J. Comput. Theor. Nanosci. 4, (i) (2007)
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RESEARCH ARTICLES
Higher-Order Time-Domain Simulations of Maxwell’s Equations Using Krylov-Subspace Methods
Jens Niegemann, Lasha Tkeshelashvili, and Kurt Busch
J. Comput. Theor. Nanosci. 4, 627–634 (2007)
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Finite-Difference Time-Domain Modeling of Decay Rates in the Near Field of Metal Nanostructures
F. Kaminski, V. Sandoghdar, and M. Agio
J. Comput. Theor. Nanosci. 4, 635–643 (2007)
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Efficient Effective Permittivity Treatment for the 2D-FDTD Simulation of Photonic Crystals
T. Jalali, K. Rauscher, A. Mohammadi, D. Erni, Ch. Hafner, W. Baechtold, and M. Z. Shoushtari
J. Comput. Theor. Nanosci. 4, 644–648 (2007)
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Diffraction Analysis of Periodic Structures Using a
Transmission-Line Formulation: Principles and Applications

Arya Fallahi, Kiarash Zamani Aghaie, Amin Enayati, and Mahmoud Shahabadi
J. Comput. Theor. Nanosci. 4, 649–666 (2007)
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Method of Auxiliary Sources and Model-Based Parameter Estimation for the
Computation of Periodic Structures

K. Tavzarashvili, Ch. Hafner, Cui Xudong, Ruediger Vahldieck, D. Kakulia, G. Ghvedashvili, and D. Karkashadze
J. Comput. Theor. Nanosci. 4, 667–674 (2007)
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Numerical Optimization of Photonic Crystal Structures
Jasmin Smajic, Christian Hafner, Cui Xudong, and Ruediger Vahldieck
J. Comput. Theor. Nanosci. 4, 675–685 (2007)
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Field Computations of Optical Antennas
Roman Kappeler, Daniel Erni, Cui Xudong, and Lukas Novotny
J. Comput. Theor. Nanosci. 4, 686–691 (2007)
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Polarization Mode Coupling due to Metal-Layer Modifications in Apertureless
Near-Field Scanning Optical Microscopy Probes

Wataru Nakagawa, Luciana Vaccaro, Hans Peter Herzig, and Christian Hafner
J. Comput. Theor. Nanosci. 4, 692–703 (2007)
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 Volume 4, Number 2 ( March 2007)


PREFACE
A Special Issue on Theory and Simulation of Nanomorphology
Guest Editor: Amanda S. Barnard
J. Comput. Theor. Nanosci. 4, (ii) (2007)
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INTRODUCTORY COMMENTS
Nanomorphology: A Road to Science Based Synthesis Methods
Miguel José Yacamán
J. Comput. Theor. Nanosci. 4, 195–198 (2007)
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REVIEWS
Carbon Nanostructures: Morphologies and Properties
Yanhong Hu, Olga A. Shenderova, and Donald W. Brenner
J. Comput. Theor. Nanosci. 4, 199–221 (2007)
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Organic Molecule Adsorption on TiO2 Nanoparticles: A Review of Computational Studies of Surface Interactions
P. Zapol and L. A. Curtiss
J. Comput. Theor. Nanosci. 4, 222–230 (2007)
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RESEARCH ARTICLES
Influence of Morphology on the Optical Properties of Metal Nanoparticles
A. L. González and Cecilia Noguez
J. Comput. Theor. Nanosci. 4, 231–238 (2007)
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Electric Field Enhancement and Light Transmission in Cylindrical Nanoholes
Kevin L. Shuford, Mark A. Ratner, Stephen K. Gray, and George C. Schatz
J. Comput. Theor. Nanosci. 4, 239–246 (2007)
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Single Particle Wavefunction Localizations in Bulged CdSe Nanowires
Zhengji Zhao, Lin-Wang Wang, and Fengmin Wu
J. Comput. Theor. Nanosci. 4, 247–251 (2007)
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Si-Nanotrees: Structure and Electronic Properties
Madhu Menon, Ernst Richter, Ingyu Lee, and Padma Raghavan
J. Comput. Theor. Nanosci. 4, 252–256 (2007)
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Induced Ring Currents in Polymerized C60 and C70 Molecules
F. López-Urías, J. A. Rodríguez-Manzo, M. Terrones, and H. Terrones
J. Comput. Theor. Nanosci. 4, 257–263 (2007)
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Magnetic Moment of Iron Clusters with 109, 110, 111, and 147 Atoms
Christof Köhler and Thomas Frauenheim
J. Comput. Theor. Nanosci. 4, 264–269 (2007)
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Magnetic Properties of Patterned Ferromagnetic Nanowires
M. B. A. Jalil, S. G. Tan, and A. O. Adeyeye
J. Comput. Theor. Nanosci. 4, 270–274 (2007)
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Stability and Mechanical Properties of Silicon Nanowires
Shudun Liu, C. S. Jayanthi, Zhenyu Zhang, and S. Y. Wu
J. Comput. Theor. Nanosci. 4, 275–281 (2007)
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Effect of Surface Structure on Shape Transformations of Gold Nanorods
Yanting Wang, S. Teitel, and Christoph Dellago
J. Comput. Theor. Nanosci. 4, 282–290 (2007)
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Theoretical Study of Gold Nanostructures with Unusual Morphologies
Y. H. Chui, G. Grochola, I. K. Snook, and S. P. Russo
J. Comput. Theor. Nanosci. 4, 291–298 (2007)
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High-Pressure Crystallisation of TiO2 Nanoparticles
Dean C. Sayle and Thi X. T. Sayle
J. Comput. Theor. Nanosci. 4, 299–308 (2007)
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Effects of Shape on the Phase Stability of Nanoparticles
G. Guisbiers, G. Abudukelimu, F. Clement, and M. Wautelet
J. Comput. Theor. Nanosci. 4, 309–315 (2007)
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Equilibrium Nanoshapes: From Thermodynamics to Atomistic Simulations
P. Müller and C. Mottet
J. Comput. Theor. Nanosci. 4, 316–325 (2007)
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Influence of Epitaxial Strain on Supported Metal Cluster Shapes via Atomistic Simulations
C. Mottet and J. Goniakowski
J. Comput. Theor. Nanosci. 4, 326–334 (2007)
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Equilibrium Distributions and the Nanostructure Diagram for Epitaxial Quantum Dots
Robert E. Rudd, G. A. D. Briggs, A. P. Sutton, G. Medeiros-Ribeiro, and R. Stanley Williams
J. Comput. Theor. Nanosci. 4, 335–347 (2007)
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 Volume 4, Number 1 ( January 2007)


REVIEW
Single DNA Conformations and Biological Function
Ralf Metzler, Tobias Ambjörnsson, Andreas Hanke, Yongli Zhang, and Stephen Levene
J. Comput. Theor. Nanosci. 4, 1–49 (2007)
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RESEARCH ARTICLES
Ion Transport in a Nanochannel
J.-F. Gwan and A. Baumgaertner
J. Comput. Theor. Nanosci. 4, 50–56 (2007)
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Ab-Initio Study of Energetics of the Si(001)-LaAlO3 Interface
Dipanjan Sen and Wolfgang Windl
J. Comput. Theor. Nanosci. 4, 57–64 (2007)
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Efficient ab-Initio Calculation of the Elastic Properties of Nanocrystalline Silicon
Hansung Kim and Wolfgang Windl
J. Comput. Theor. Nanosci. 4, 65–70 (2007)
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Motility of Molecular Motor
Yaogen Shu and Zhong-Can Ou-Yang
J. Comput. Theor. Nanosci. 4, 71–76 (2007)
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First Principles Calculation of Small Lead Nanowires
Pankaj Srivastava, Sarika Shrivastava, and A. K. Shrivastava
J. Comput. Theor. Nanosci. 4, 77–83 (2007)
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Fast Bessel Matching
Julio A. Kovacs, Ruben Abagyan, and Mark Yeager
J. Comput. Theor. Nanosci. 4, 84–95 (2007)
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Diamondoids-DNA Nanoarchitecture: From Nanomodules Design to Self-Assembly
Hamid Ramezani, G. Ali Mansoori, and Mohammad-Reza Saberi
J. Comput. Theor. Nanosci. 4, 96–106 (2007)
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Toroidal Carbon Nanotube as Molecular Motor
Antônio Maia de Jesus Chaves Neto and Jordan Del Nero
J. Comput. Theor. Nanosci. 4, 107–110 (2007)
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Morphology and Deformation State of Nanofibers in Anodic Aluminum Oxide (AAO) Templates
Michelle L. Hyers, Yong X. Gan, Chih-Shing Wei, Penelope A. Lewis, George Flynn, and W. H. Zhong
J. Comput. Theor. Nanosci. 4, 111–121 (2007)
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The Effect of Interface Chemical Bonds on the Behaviour of Nanotube-Polyethylene Composites
Under Nano-Particle Impacts

K. Mylvaganam, L. C. Zhang, and W. C. D. Cheong
J. Comput. Theor. Nanosci. 4, 122–126 (2007)
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Stochastic Differential Equation Models of Nanoparticle Growth in Brust-Schiffrin Reaction
Joseph P. Brennan, Xiong Liu, and Qun Huo
J. Comput. Theor. Nanosci. 4, 127–132 (2007)
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Uniquimer: Software of De Novo DNA Sequence Generation for DNA Self-Assembly—
An Introduction and the Related Applications in DNA Self-Assembly

Bryan Wei, Zhengyu Wang, and Yongli Mi
J. Comput. Theor. Nanosci. 4, 133–141 (2007)
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Fluorination Approach to Achieving Tunable-Optical-Gap
and Large-Optical-Gap Nanomaterials from Carbon-Caged Nanoparticles

John Rui-Hua Xie, Jijun Zhao, Guangyu Sun, and Jerzy Cioslowski
J. Comput. Theor. Nanosci. 4, 142–146 (2007)
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Szeged Index of TUC4C8(R) Nanotube
A. Iranmanesh, B. Soleimani, and A. Ahmadi
J. Comput. Theor. Nanosci. 4, 147–151 (2007)
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Structural and Electronic Properties of Inn (n = 2–13) Clusters by Density Functional Theory
Lijing Gao, Daning Shi, Jijun Zhao, Baolin Wang, and Jianming Jia
J. Comput. Theor. Nanosci. 4, 152–157 (2007)
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Wiener and Schultz Indices of TUC4C8(R) Nanotubes
Abbas Heydari and Bijan Taeri
J. Comput. Theor. Nanosci. 4, 158–167 (2007)
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Hot Spots in Silicon by Non-Equilibrium Molecular Dynamics Simulations
P. Heino
J. Comput. Theor. Nanosci. 4, 168–173 (2007)
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Responsivity of Quantum Dot Photodetector at Terahertz Detection Frequencies
A. H. Phillips, A. N. Mina, M. S. Sobhy, and E. A. Fouad
J. Comput. Theor. Nanosci. 4, 174–178 (2007)
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Analytic Modeling of Non-Uniform Graded Dopant Profile of Polysilicon Gate in
Gate Tunneling Current for N-MOSFET in Nanoscale Regime

Ashwani Kumar and S. Dasgupta
J. Comput. Theor. Nanosci. 4, 179–185 (2007)
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Asymmetric Confinement of an Electron in a Double-Well Potential and Its Relation with Molecular Lasers
Ivan Marin-Enriquez, G. Campoy-Güereña, J. L. Marin-Flores, and R. Riera-Aroche
J. Comput. Theor. Nanosci. 4, 186–189 (2007)
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COMMUNICATION
Modeling of Self-Healing Polymer Composites Reinforced with Nanoporous Glass Fibers
Vladimir Privman, Alexander Dementsov, and Igor Sokolov
J. Comput. Theor. Nanosci. 4, 190–193 (2007)
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