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Journal of Computational and Theoretical Nanoscience is an international peer-reviewed journal with a wide-ranging coverage, consolidates research activities in all aspects of computational and theoretical nanoscience into a single reference source. This journal offers scientists and engineers peer-reviewed research papers in all aspects of computational and theoretical nanoscience and nanotechnology in chemistry, physics, materials science, engineering and biology to publish original full papers and timely state-of-the-art reviews and short communications encompassing the fundamental and applied research.

Publisher: American Scientific Publishers

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Volume 3, Number 5, October 2006

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Reviews

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

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Research Articles

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

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

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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.

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

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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

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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.

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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

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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

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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.

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

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A Special Section on Theoretical and Computational Chemistry of Complex Systems

Research Articles

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

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

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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

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

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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.

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

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