Journal of Computational and Theoretical Nanoscience

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

A First-Principles Study of the Interactions of Fe Atom with Single-Wall Zigzag SiC Nanotubes
pp. 16-29(14)
Authors: Alam, Kazi M.; Ray, Asok K.

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

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

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.

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.

Molecular Dynamics Study on Mechanical Properties and Interfacial Morphology of an Aluminum Matrix Nanocomposite Reinforced by -Silicon Carbide Nanoparticles
pp. 61-72(12)
Authors: Gu, H.; Gao, X.-L.; Li, X. C.

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

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.

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.

An Elementary Neuro-Morphic Circuit for Visual Motion Detection with Single-Electron Devices Based on Correlation Neural Networks
pp. 89-95(7)
Authors: Kikombo, Andrew Kilinga; Asai, Tetsuya; Amemiya, Yoshihito

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

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

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

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.

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

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

The Polarization Properties in Ferroelectric Nanofilms Investigated by Molecular Dynamics Simulation
pp. 142-147(6)
Authors: Fang, Daining; Sang, Yongliang

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

Second and Third Harmonic Generation Susceptibilities of Spherical Quantum Dots: Effects of Impurities, Electric Field and Size
pp. 153-156(4)
Authors: Karabulut, İbrahim; Baskoutas, Sotirios

Spatial Dependent Effective Mass for Donor Binding Energies in a Quantum Well in the Influence of an Electric Field
pp. 157-161(5)
Authors: Peter, A. John; Sugirtham, L. Caroline

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

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

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

Fractional Periodic Persistent Current in a Twisted Normal Metal Loop: An Exact Result
pp. 187-191(5)
Author: Maiti, Santanu K.

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

Coupling Behaviors and Decoupling Transitions of CdTe-ZnTe Symmetric versus Asymmetric Double-Quantum Wells
pp. 195-205(11)
Authors: Tit, Nacir; Obaidat, Ihab M.

Transmission, Correlation Analysis and Substituent Electronic Effects on Mulliken Charges of Para-Substituted 1-(arylmethylene)-1H-Cyclopropa[b]Benzenes, and Para-Substituents 1-(diarylmethylene)-1H-Cyclopropa[b]Naphthalenes
pp. 206-211(6)
Author: Essa, Ali Hashem

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

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

Investigation of the Stochastic Dynamics of Nanomotor Protein: Effect of Bistable Potential Type
pp. 222-230(9)
Author: Foroutan, Masumeh

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