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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 8, Number 5, May 2011

A Special Issue

A Special Issue on Multiscale and Multiphysics Simulations for Energy Applications
pp. 801-802(2)
Authors: Jiang, Hanqing; Liu, Bin; Guo, Xu

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Research Articles

Incorporation of Hydrogen Molecules into Carbon Nitride Heterofullerenes: An Ab Initio Study
pp. 803-807(5)
Authors: Javan, M. Bezi; Ganji, M. D.; Sabet, M.; Danesh, N.

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Investigation of Charge Transfer and Excited State Nature of Two Isophorone Dyes
pp. 808-813(6)
Authors: Li, Yuanzuo; Li, Huixing; Zhang, Wenqin; Zhao, Xiaohong; Chen, Maodu; Ma, Fengcai

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A State-Dependent Hysteresis Model for Giant Magnetostrictive Materials
pp. 842-846(5)
Authors: Gao, Xu; Pei, Yongmao; Fang, Daining

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Hydrogenation of Carbon Nanotubes: Roles of Symmetry and Strain
pp. 853-857(5)
Authors: Xue, Kun; Xu, Zhiping

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First-Principles Study on Alloying Effect on the Migration Barrier of He in Titanium Ditritide
pp. 858-861(4)
Authors: Wu, Y. X.; Liu, X.; Yin, X. H.; Ma, X. F.; Zhang, Qian-Feng

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First-Principles Investigations on the Feasibility of the Boron Nitride Fullerene-Like B36N36 for Natural Gas Storage
pp. 862-866(5)
Authors: Ganji, M. D.; Ghorbanzadeh, M.; Negaresh, M.; Najafi, A. A.; Rezvani, M.; Shokry, M.

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Critical Thickness and the Size-Dependent Curie Temperature of BaTiO3 Nanofilms
pp. 867-872(6)
Authors: Zhang, Yihui; Sang, Yongliang; Liu, Bin; Fang, Daining

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Multiscale Modeling of the Interfacial Fracture Behavior in the Sn–Cu6 Sn5–Cu System
pp. 873-880(8)
Authors: Fei, Huiyang; Yazzie, Kyle; Williams, Jason; Chawla, Nikhilesh; Jiang, Hanqing

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Energy Dissipation of Nanoporous MFI Zeolite Under Dynamic Crushing
pp. 881-886(6)
Authors: Xu, Baoxing; Liu, Ling; Zhou, Qulan; Qiao, Yu; Xu, Jun; Li, Yibing; Tak, Mooho; Park, Taehyo; Chen, Xi

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