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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

Volume 6, Number 5, May 2009
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Reviews

Hierarchical Multiscale Modelling Scheme from First Principles to Mesoscale
pp. 951-959(9)
Authors: Lyubartsev, Alexander; Tu, Yaoquan; Laaksonen, Aatto

Validity Comparison Between Asymptotic Dispersion Energy Formalisms for Nanomaterials
pp. 960-971(12)
Author: Dobson, John F.

Continuum Modelling for Interactions Between Fullerenes and Other Carbon Nanostructures
pp. 972-984(13)
Authors: Thamwattana, Ngamta; Baowan, Duangkamon; Hill, James M.

Research Articles

Modeling Energy Conversion and Mass Transfer in Top-Down Nanomanufacturing Processes
pp. 985-993(9)
Author: Gan, Yong X.

Symmetric-Galerkin Boundary Element Analysis of the Quantized Fracture Mechanics Stress Intensity Factors in Nanoscale Fracture
pp. 994-1000(7)
Authors: Phan, A.V.; Tippur, H.V.

Applying DNA Computation to Integer-Planning Problem
pp. 1001-1007(7)
Author: Lei, Wang

Recognition of Chiral Vector Angle of Individual Single-Walled Carbon Nanotubes by Image Processing Techniques
pp. 1008-1012(5)
Authors: Wang, Maofa; Zou, Xiaoping; Cheng, Jin; Zhu, Guang; Su, Yi

Magnetic Field Driven Nano Tippe Top
pp. 1013-1020(8)
Authors: Chan, Yue; Thamwattana, Ngamta; Hill, James M.

Theoretical Investigations of Metal-Halide Salt Encapsulated Nanotubes: A Proposal for Nano-Explosives
pp. 1021-1029(9)
Author: Jalbout, Abraham F.

Beam Splitter Achieved by Using Metallic Structure with Nanoslits
pp. 1030-1033(4)
Authors: Yang, Yong; Fu, Yongqi; Yao, Hanmin; Hu, Song; Zhou, Shaolin; Yan, Wei; Chen, Wangfu; Cheng, Guanxiao; Li, Zhan

Tuning Optical Properties of Rhombic Hybrid Au-Ag Nanoparticles: A Discrete Dipole Approximation Calculation
pp. 1034-1038(5)
Authors: Zhu, Shaoli; Du, Chunlei; Fu, Yongqi; Liu, Aiqun

Calculation of Strain Energy of Cantilevered Thick Multiwalled Carbon Nanotubes with Varying Forces at the Free End
pp. 1039-1044(6)
Authors: Patra, P.K.; Singh, L.J.; Kumar, S.

Dynamical Wobbulations of Electronic Spin States in a Rashba Isotropic 2D Quantum Dot
pp. 1045-1053(9)
Authors: Safaiee, R.; Golshan, M.M.

Spectroscopic Analyses of Cellulose: Fourier Transform Infrared and Molecular Modelling Study
pp. 1054-1058(5)
Authors: Ibrahim, Medhat; Osman, Osama

Investigation of the Structures and Vibrational Spectroscopy on Some Derivatives of 3′-Azido-3′-Deoxythymidine (AZT) and Ethyl 4-Acetamido-5-Amino-3-(pentan-3-yloxy) Cyclohex-1-Enecarboxylate (Tamiflu) Through DFT Calculations
pp. 1059-1063(5)
Author: Essa, Ali Hashem

Calculation of the 15N NMR Chemical Shifts for Some Para-Substituted Anilines by Using the HyperNMR Software Package
pp. 1064-1066(3)
Authors: Hameed, Ali Jameel; Essa, Ali Hashem; Alwaaly, Ahmed A.S.

Application of DNA Self-Assembly on Graph Coloring Problem
pp. 1067-1074(8)
Authors: Zhang, Xuncai; Niu, Ying; Cui, Guangzhao; Xu, Jin

Near Field and Optical Diffraction of 3D Dielectric Corner by Transmission Line Modeling and Multipole Expansion of Green's Function
pp. 1075-1080(6)
Authors: Massaro, Alessandro; Cingolani, Roberto; Passaseo, Adriana; De Vittorio, Massimo

How to Compute the Atomic Stress Objectively?
pp. 1081-1089(9)
Authors: Liu, Bin; Qiu, Xinming

Quantum Fluid Dynamics and Quantum Computational Fluid Dynamics
pp. 1090-1108(19)
Authors: Lin, C.T.; Kuo, J.K.; Yen, T.H.

The Modified Schultz Index of Armchair Polyhex Nanotubes
pp. 1109-1114(6)
Authors: Xiao, Zhengming; Chen, Shubo

A New Approach to the Prediction of Partition Coefficients in Water/Organic Interfaces
pp. 1115-1119(5)
Authors: Miotto, R.; Ferraz, A.C.; Baptista, Maurício S.

Theoretical Study of (OH)3N2O3 MOH, M = C, Si, Ge, Sn and N = Al, Ga, In, with Imogolite-Like Structure
pp. 1120-1124(5)
Authors: Alvarez-Ramírez, Fernando

Initial Values Method for Symmetric Bending of Micro/Nano Annular Circular Plates Based on Nonlocal Plate Theory
pp. 1125-1130(6)
Authors: Artan, Reha; Lehmann, Lutz

Effect of Electron-Electron Interactions in a Parabolic Quantum Dot Under the Influence of Magnetic Field
pp. 1131-1135(5)
Authors: Peter, A. John; Saravanakumar, S.

Identify the Most Significant Genes Based on Prim Algorithm of Minimal Spanning Tree
pp. 1136-1139(4)
Authors: Lu, Yan; Liao, Bo; Zhu, Wen; Zhou, Xinyuan

A Theoretical Study for Oxidative Metabolism of Salicylates
pp. 1140-1142(3)
Authors: Freire, Ana D.T.; Landivar, Lucimara M.C.; Queiroz, Auriekson N.; Borges, Rosivaldo S.

Study of Hydrogen Self Diffusion in Platinum/Palladium Decorated Single-Walled Carbon Nanotubes Using Molecular Dynamics Simulations
pp. 1143-1147(5)
Authors: Jalili, S.; Jaberi, A.; Mahjani, M.G.; Jafarian, M.

Behaviour of Thin Magnetic Films at Low Temperatures
pp. 1148-1160(13)
Authors: Sajfert, Vjekoslav; Popov, Dušan; Mašković, Ljiljana; Tošić, Bratislav

Algorithm of Solving the Subset-Product Problem Based on DNA Tile Self-Assembly
pp. 1161-1169(9)
Authors: Cheng, Zhen; Xu, Jin; Huang, Yufang; Zhang, Xuncai; Zhou, Kang

Fabrication of Nanoscale Line Width Using the Improved Optical Maskless Lithographic System
pp. 1170-1174(5)
Authors: Jiang, Wenbo; Hu, Song; Zhao, Lixin; Yan, Wei; Yang, Yong; Zhou, Shaolin; Chen, Wangfu

Theoretical and Computational Modeling of Functionalization Energy for Highly Symmetrical Molecules: Nanotubes and Fullerenes
pp. 1175-1180(6)
Author: Fusaro, Massimo

Elasticity of Single-Crystal Calcite by First-Principles Calculations
pp. 1181-1188(8)
Authors: Zhao, Junhua; Zhou, Bin; Liu, Baiguo; Guo, Wanlin

Persistent Current in a Mesoscopic Cylinder: Effects of Radial Magnetic Field
pp. 1189-1193(5)
Authors: Maiti, Santanu K.; Aeenehvand, Fatemeh

C60 Randomly Rolling Around the Carbon Nanostring
pp. 1194-1196(3)
Authors: de Jesus Chaves Neto, Antônio Maia

C60 Randomly Interacting with a Carbon Nanostring Under Temperature Effect
pp. 1197-1199(3)
Authors: de Jesus Chaves Neto, Antônio Maia

Role of Transversal Phonon Modes in the Specific Heat Capacity of Multi-Wall Carbon Nanotubes
pp. 1200-1203(4)
Authors: Jafari, Mahmoud; Masoudi, Seyyed Farhad; Vaezzadeh, Majid; Oskoui, Leila Bohloli

A Numerical Method for Computing the Wiener Index of One-Heptagonal Carbon Nanocone
pp. 1204-1207(4)
Authors: Alipour, M.A.; Ashrafi, A.R.

Communication

On the Computational Modeling of Charge Conductivity in Biopolymers
pp. 1208-1210(3)
Author: Jalbout, Abraham F.

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