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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 6, Number 1, January 2009

Review

Computational Studies of Catalytic Particles for Carbon Nanotube Growth
pp. 1-15(15)
Authors: Bolton, Kim; Ding, Feng; Börjesson, Anders; Zhu, Wuming; Duan, Haiming; Rosén, Arne; Harutyunyan, Avetik R.; Curtarolo, Stefano

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Research Articles

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Endohedral Li/Li+ Doped Stone-Wales Defected Carbon Nanocapsules
pp. 30-40(11)
Authors: Peköz, Rengin; Erkoç, Şakir

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Atomistic Simulations of the Nonlinear Deformation and Damage Modes of Super Carbon Nanotubes
pp. 41-45(5)
Authors: Chen, Yuli; Yin, Yajun; Huang, Yonggang; Hwang, Keh-Chih

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Parallel Molecular Dynamics Simulation of Head-on Collision of Two Nanoscale Droplets with Low Relative Speed
pp. 46-53(8)
Authors: Juang, R.-R.; Lee, Y.-M.; Chiang, C.-H.; Wu, J.-S.; Hsu, Y.-L.; Chau, S.-W.

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Interactive Design Strategy for a Multi-Functional PAMAM Dendrimer-Based Nano-Therapeutic Using Computational Models and Experimental Analysis
pp. 54-60(7)
Authors: Lee, Inhan; Majoros, Istvan J.; Williams, Christopher R.; Athey, Brian D.; Baker, James R.

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Multiple Addition of Methylamine to Fullerene C60: A Density Functional Theory Study
pp. 73-79(7)
Authors: Amelines-Sarria, Oscar; Basiuk, Vladimir A.

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Computational Notes on the Analysis of C59-Zn, C59-Cd and C59-Hg Fullerenes
pp. 80-84(5)
Authors: Ibrahim, Medhat; El-Haes, Hanan; Jalbout, A. F.; Khalil, Ahmed A. I.; de Leon, A.

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Analysis of C60 Doping with Gallium, Indium and Phosphorus Using Semiempirical Molecular Modelling
pp. 85-88(4)
Authors: Ibrahim, Medhat; El-Haes, Hanan; Jalbout, A. F.; Hameed, Ali Jameel; de Leon, A.

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Numerical Simulation of the Temperature Field in the Vacuum Vessel Preparing Nanopowder by DC Arc Method
pp. 96-100(5)
Authors: Jiusheng, Bao; Zhencai, Zhu; Yan, Yin; Tonggang, Liu

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Capacitive Effects in a Three-Terminal Organic Nano-Device
pp. 101-105(5)
Authors: Reis, Marcos Allan Leite; Saraiva-Souza, Aldilene; Nero, Jordan Del

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Numerical Study of Optical Properties of Ag/SiO2/Ag Sandwich Nanobowties
pp. 106-111(6)
Authors: Yang, Lanying; Du, Chunlei; Luo, Xiangang

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Einstein Relation in n-Channel Inversion Layers of Nonlinear Optical, Optoelectronic and Related Materials: Simplified Theory, Relative Comparison and Suggestion for an Experimental Determination
pp. 112-134(23)
Authors: Bhattacharya, S.; Sarkar, R.; De, D.; Mukherjee, S.; Pahari, S.; Saha, A.; Roy, S.; Paul, N. C.; Ghosh, S.; Ghatak, K. P.

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Carbon Nanotube and Nanostring Circle as Molecular Motor Under Temperature Effect
pp. 135-137(3)
Author: de Jesus Chaves Neto, Antônio Maia

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Analysis of Dioxin Using Ab Initio Molecular Modelling Technique
pp. 138-141(4)
Authors: Ibrahim, Medhat; Mahmoud, Osama

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Monte Carlo Simulation on the RKKY Interactions of Co-Doped ZnS and ZnSe Nano-Films
pp. 148-152(5)
Authors: Jalbout, Abraham F.; Contreras-Torres, Flavio F.; Roy, Amlan K.; de Leon, Aned

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The Possibility of Achieving Extra High Exciton Concentration in Thin Molecular Films
pp. 162-171(10)
Authors: Sajfert, Vjekoslav; Mali, Petar; Nikola, Bednar; Tošić, Bratislav

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Circuit Modeling of Discontinuous Planar Waveguides at High Frequencies
pp. 172-177(6)
Authors: Massaro, Alessandro; Cingolani, Roberto; Passaseo, Adriana; de Vittorio, Massimo

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Molecular Dynamics Study on Resonance Characteristics of Gigahertz Carbon Nanotube Motor
pp. 178-186(9)
Authors: Kang, Jeong Won; Won, Chung Sang; Ryu, Gi Han; Choi, Young Gyu

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Rn Atom Inside a Carbon Nanotube Under Temperature Effect
pp. 192-194(3)
Author: de Jesus Chaves Neto, Antônio Maia

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A Study on Isolated Zigzag Single Wall ZnS Nanotubes Using Ab-Initio Pseudopotential Method
pp. 212-215(4)
Authors: Thakur, Vikas; Bisht, P. S.; Verma, U. P.; Ram, P. Raja

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Modeling Applicable DNA Nano Networks
pp. 216-221(6)
Authors: Mohammadzadegan, Reza; Kordrostami, Zoheir; Shiekhi, Mohammad Hossein

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Communication

First-Order Transition of a Nanoscale Heteropolymer Chain with Lennard-Jones Potential
pp. 231-232(2)
Authors: Jalbout, Abraham F.; de Leon, Aned

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