Journal of Computational and Theoretical Nanoscience

Nanobiology Think Tank: Computational and Theoretical Nanoscience is Taking off at the National Cancer Institute
pp. 599-602(4)
Authors: Sidorov, I.A.; Dimitrov, D.S.

Large-Scale Hierarchical Molecular Modeling of Nanostructured Biological Materials
pp. 603-623(21)
Author: Buehler, Markus J.

Molecular-Spintronics: The Art of Driving Spin Through Molecules
pp. 624-642(19)
Authors: Sanvito, S.; Rocha, A.R.

Computational Framework for Nanoscale Self-Assembly of Collagen Fiber
pp. 643-648(6)
Authors: Pidaparti, Ramana M.; Murugesan, Karthik; Yokota, Hiroki

A Unique Electromagnetic Photon Field Using Feynman's Electron Characteristics and Maxwell's Equations
pp. 649-663(15)
Authors: Grimes, Dale M.; Grimes, Craig A.

The Effect of Gas Adsorption on Carbon Nanotubes Properties
pp. 664-669(6)
Authors: Jalili, Seifollah; Majidi, Roya

Mechanics of Protein Crystals: Atomistic Modeling of Elasticity and Fracture
pp. 670-683(14)
Author: Buehler, Markus J.

Design and Characterization of Minority Gate as a Universal Logic for Quantum-Dot Cellular Automata
pp. 684-695(12)
Authors: Roy, Samir; Saha, Biswajit; Sikdar, Biplab K.

The Early Stages of Quantum Dot Self-Assembly: A Kinetic Monte Carlo Simulation
pp. 696-701(6)
Authors: Hu, Qiyang; Ghoniem, Nasr M.

Permeation in Gramicidin Ion Channels by Directly Estimating the Potential of Mean Force Using Brownian Dynamics Simulations
pp. 702-711(10)
Authors: Krishnamurthy, Vikram; Hoyles, Matthew; Saab, Rayan; Chung, Shin-Ho

On the Theory of Novel Solid-State Terahertz Sources: Renormalization and Bloch Equations
pp. 712-726(15)
Author: Buot, F.A.

The Debye Screening Length in Ultrathin Films of Nonlinear Optical, Optoelectronic, and Related Materials: Simplified Theory and Suggestion for Experimental Determination
pp. 727-751(25)
Authors: Ghatak, K.P.; Bhattacharya, S.; Saikia, H.; Baruah, D.; Saikia, A.; Singh, K.M.; Ali, A.; Mitra, S.N.; Bose, P.K.; Sinha, A.

Clustered Ensemble Averaging: A Technique for Visualizing Qualitative Features of Stochastic Simulations
pp. 752-760(9)
Authors: Smith, Kayne M.; Banks, David C.; Druckman, Neil; Beason, Kevin; Hussaini, M. Yousuff

Optical Absorption Spectra of V⁺₄ Isomers: One Example of First-Principles Theoretical Spectroscopy with Time-Dependent Density Functional Theory
pp. 761-766(6)
Authors: Martínez, J.I.; Castro, A.; Rubio, A.; Alonso, J.A.

Interaction of Porphines with Single-Walled Carbon Nanotubes: A DFT Study with Minimal Basis Set
pp. 767-774(8)
Author: Basiuk, Vladimir A.

Iminodiacetate as a Chelating Agent for Histidine: A Theoretical Study
pp. 775-784(10)
Authors: Trzaskowski, Bartosz; Stepanian, Stepan G.; Leś, Andrzej; Deymier, Pierre A.; Guzman, Roberto; Adamowicz, Ludwik

Structural, Electronic, and Spectroscopic Properties of Saturn-Type Labile Fullerene C₅₀ Derivatives
pp. 785-797(13)
Authors: Cheung, Chiu Fung; Hsu, Paul S.; Xie, John R.H.

Nonlinear Extension of Single-Walled Carbon Nanotubes Analyzed by a Continuum Model Based on a Higher-Order Cauchy-Born Rule
pp. 798-802(5)
Authors: Wang, JinBao; Guo, Xu; Zhang, HongWu

Counting the Number of Hetero Fullerenes
pp. 803-810(8)
Authors: Ghorbani, Modjtaba; Ashrafi, Ali Reza

Analysis and Evaluation of Output Characteristics of Gaussian Doped Nanoscale MOSFET Using Green's Function Approach
pp. 811-817(7)
Authors: Roy, Ritambhar; Dasgupta, S.

A Special Section on Theoretical and Computational Chemistry of Complex Systems
pp. i-i(1)
Author: Chen, Guanhua

Development of Ab Initio Calculation for Electron Transport and the Effects of Lead and Contact Structures in Molecular Electronics
pp. 819-823(5)
Authors: Ke, San-Huang; Baranger, Harold U.; Yang, Weitao

Molecular Dynamics Simulations of Thermal Conductivity of Silicon Nanotubes
pp. 824-829(6)
Authors: Tang, Yuk Wai; Huang, Zhen; Wang, Xinwei; Zeng, X.C.

First-Principles Calculations of Field Emission from Nano-Structures
pp. 830-837(8)
Authors: Li, Bin; Leung, T.C.; Chan, C.T.

Electronic and Piezoelectric Properties of BN Nanotubes from Hybrid Density Functional Method
pp. 838-842(5)
Authors: Xiang, H.J.; Chen, Z.Y.; Yang, Jinlong

Electronic Structures and Optical Properties of Fullerene and Organic Molecule Nanotube Peapods
pp. 843-851(9)
Authors: Liang, WanZhen; Sun, Jin; Yang, Jinlong

Quasi-Reversible Energy Flows in Carbon-Nanotube Oscillators
pp. 852-856(5)
Authors: Zhao, Yang; Ma, Chi-Chiu; Wong, Lai-Ho; Chen, GuanHua; Xu, ZhiPing; Zheng, QuanShui; Jiang, Qing; Chwang, Allen T.

Some Recent Progresses in Density-Functional Theory: Efficiency, Accuracy, and Applicability
pp. 857-863(7)
Authors: Yam, Chi-Yung; Zheng, Xiao; Chen, GuanHua