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Home / Journal of Computational and Theoretical Nanoscience, Volume 8, Number 4
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 4, April 2011

Research Articles

Theoretical and Computational Modeling of Functionalization Energy for Molecular and Periodical Models of Linear Conjugated Transpolyacetyle
pp. 521-528(8)
Author: Fusaro, Massimo

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Lattice Thermal Conductivity in SiC Nanotubes, Nanowires and Nanofilaments: A Molecular Dynamics Study
pp. 529-534(6)
Authors: Lyver, John W.; Blaisten-Barojas, Estela

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Structural Stability Analysis of Small Platinum Nanoclusters
pp. 535-540(6)
Authors: Saxena, Prabodh Sahai; Srivastava, Pankaj; Srivastava, Ashwini KR.; Singh, Sanjai

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Properties of Charged Defects on Unidimensional Polymers
pp. 541-549(9)
Authors: Leal, José Fernando P.; Da Silva, Shirsley J. S.; Granhen, Ewerton R.; Silva Junior, Carlos A. B.; Moreira, Marcos Dionízio; Achete, Carlos A.; Capaz, Rodrigo B.; Nero, Jordan Del

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Structure–Activity Relationship of Bergenin and Acetylated Derivatives as Anti-Inflammatory
pp. 550-553(4)
Authors: Borges, Jaqueline C. M.; Santos, Lourivaldo S.; Sousa, Pergentino J. C.; Borges, Rosivaldo S.

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Broadcasting Algorithms of Carbon Nanotubes
pp. 554-562(9)
Authors: Manuel, Paul; Guizani, Mohsen

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Simulation of the Interaction of Carbon Nanotubes and External Flow
pp. 563-567(5)
Authors: Bahrami, M.; Kalantarinejad, R.; Aghaei, M. J.; Azadi, N.

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On the Structures of Non-Stoichiometric GanAsm Clusters (5≤ n + m ≤ 8)
pp. 568-578(11)
Authors: Marchal, Rémi; Carbonnière, Philippe; Pouchan, Claude

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Solving River Crossing Puzzle in the DNA Tile Self-Assembly Model
pp. 579-585(7)
Authors: Wang, Yanfeng; Zheng, Yan; Zhang, Xuncai; Cui, Guangzhao

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Ultraviolet Spectroscopy and Density of State for Free Oseltamivir in Aqueous Solution by Computational Methods
pp. 586-592(7)
Authors: Mota, Gunar Vingre Da Silva; Costa, Fabio Luiz Paranhos; Fernandes, Sidnei Bessa De Oliveira; De Amorim, Mauro Barbosa; Neto, Antônio M. J. C.

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Topological Study of HC5C7[4p,8] Carbon Nanotubes
pp. 593-597(5)
Authors: Ashrafi, Ali Reza; Ghorbani, Modjtaba

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On the Apparently Fixed Dispersion of Size Distributions
pp. 598-602(5)
Authors: Vongehr, Sascha; Tang, Shaochun; Meng, Xiangkang

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Two Interacting Circular Nano-Holes with Interface Effect Under Anti-Plane Shear Waves
pp. 603-608(6)
Authors: Fang, Xue-Qian; Zhang, Le-Le; Liu, Jin-Xi

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Theoretical Study of the Structural Stability and the Electronic Properties of AlmHn Clusters
pp. 609-615(7)
Authors: Martínez, J. I.; Calle-Vallejo, F.; Tripkovic, V.; Alonso, J. A.

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Equilibrium Configurations for Carbon Nano-Stacked Cups
pp. 616-623(8)
Authors: Baowan, Duangkamon; Cox, Barry J.; Hill, James M.

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Quantum Mechanical Investigations of Photosynthetic Systems of Artificial Minimal Cells Based on 8-Oxo-Guanine-Ru(bipyridine)32+
pp. 624-636(13)
Author: Tamulis, Arvydas

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The Electronic Properties of SiC Graphene-Like: Doped and No-Doped Case
pp. 637-641(5)
Authors: Anota, E. Chigo; Cocoletzi, H. Hernández; Hernández, A. Bautista; Ramírez, J. F. Sánchez

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Substitutional Patterns in Boron Doped Heterofullerenes C60– nBn (n = 1–12)
pp. 642-655(14)
Authors: Garg, Isha; Sharma, Hitesh; Dharamvir, Keya; Jindal, V. K.

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The Hosoya Index of an Infinite Class of Dendrimer Nanostars
pp. 656-658(3)
Author: Chen, Shubo

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An Image Encryption Scheme Based on Nonlinear Wavelet Function
pp. 659-663(5)
Author: Ye, Guodong

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RNA Dynamics Probed by Single-Molecule Fluorescence Resonance Energy Transfer Studies
pp. 664-669(6)
Authors: Bao, Shuying; Shan, Guangcun; Zhao, Xinghai

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A Theoretical Study of Paracetamol Acyl-Ether Derivatives
pp. 670-675(6)
Authors: Silva, Joseane R.; Queiroz, Luana M. D.; Queiroz, Auriekson N.; Souza, Pergentino J. C.; Borges, Rosivaldo S.

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Implementation of Classical Logic Gates at Nano-Scale Level Using Magnetic Quantum Rings: A Theoretical Study
pp. 676-693(18)
Author: Maiti, Santanu K.

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Investigation of Metal and Non-Metal Doped Dimer and Trimer C60 Fullerene Chains as Prospective Spin Cluster Qubits
pp. 694-706(13)
Authors: Polad, S.; Erkoç, S.

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Numerical Solution and Statistically Analysis for Estimation of the Heat Flux in Thermal Scanning Process Using Conjugate Gradient Method
pp. 707-712(6)
Authors: Yazdani, S.; Bigham, S.; Yazdani, J.

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Prediction of Silver Nanoparticles Diameter Synthesized Through the Tollens Process by Using Artificial Neural Networks
pp. 713-716(4)
Authors: Nateri, A. Shams; Dadvar, S.; Oroumei, A.; Ekrami, E.

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Molecular Dynamic Simulations of Forming Graphene Nanoribbons from Single-Wall Carbon Nanotubes
pp. 717-721(5)
Authors: Zhang, Rongjun; Jiang, Hanqing

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Atomistic Field Theory of Nano Energy Harvesting
pp. 722-728(7)
Author: Chen, James

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Half-Metallicity in Doped Armchair Graphene Nanoribbons—An Ab Initio Approach
pp. 729-735(7)
Authors: Chauhan, Satyendra Singh; Srivastava, Pankaj; Kurchania, Rajnish

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All-Pentagonal Face Multi Tori
pp. 736-739(4)
Authors: Diudea, Mircea V.; Ilíc, Aleksandar

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Electronic Transport in Bi-Asymmetric T-Shaped Graphene Nanoribbons
pp. 740-745(6)
Authors: Khoeini, Farhad; Shokri, Ali A.

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Seebeck Coefficient in Bulk and Quantum Wells of Non-Parabolic Kane-Type Materials
pp. 746-756(11)
Authors: Bhattacharya, Sitangshu; Mallik, Ramesh Chandra

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Site Effect of Impurity Based on a Bimolecular Tunneling Rectifier
pp. 757-762(6)
Authors: Qiu, Ming; Liew, K. M.

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Exchange and Correlation Effect of Hydrogen Chemisorption on Nano V(100) Surface: A DFT Study by Generalized Gradient Approximation (GGA)
pp. 763-768(6)
Authors: Bakhshi, K.; Mollaamin, F.; Monajjemi, M.

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Quantum Ring Models and Action-Angle Variables
pp. 769-775(7)
Authors: Bellucci, Stefano; Nersessian, Armen; Saghatelian, Armen; Yeghikyan, Vahagn

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The Effect of Pinhole Defect on Dynamic Characteristics of Single Walled Carbon Nanotube Based Mass Sensors
pp. 776-782(7)
Authors: Joshi, Anand Y.; Sharma, Satish C.; Harsha, S. P.

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Effects of Vacancy Defects on Mechanical Properties of Graphene/Carbon Nanotubes: A Numerical Modeling
pp. 783-794(12)
Authors: Askari, Davood; Ghasemi-Nejhad, Mehrdad N.

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Communication (communication)

Predicted Anomalous Behavior of C60 Fullerenes on Graphite at Low Temperature: A New Hindered Cooperative Rotational Transition
pp. 795-799(5)
Authors: Roth, M. W.; Balasubramanya, M. K.; Bergmann, P.; Karl, M.; Connolly, M. J.; Gray, Paul A.

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