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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 3, Number 6, December 2006
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Preface

A Special Issue on Theoretical and Computational Studies of Interlocked Molecules and Molecular Devices
pp. i-ii(1)
Author: Sohlberg, Karl

Review

An Introduction to Modeling Interlocked Molecule Systems and Application to a "Molecular Elevator"
pp. 865-873(9)
Authors: Sohlberg, Karl; Lee, Ki-Ho

Research Articles

Free Energy Calculations (FEP and TI): Conformational Preference of a Cyclodextrinic [2]Catenane: A Case Study
pp. 874-879(6)
Authors: de Federico, Miguel; Jaime, Carlos

A Molecular Dynamics Study on Oscillation of a Carbon Nanotube Inside an Encapsulating Boron-Nitride Nanotube
pp. 880-884(5)
Authors: Kang, Jeong Won; Hwang, Ho Jung; Jiang, Qing

Molecular Dynamic Studies of Viral-Protein Based Nano-Actuators
pp. 885-897(13)
Authors: Dubey, A.; Mavroidis, C.; Tomassone, M.S.

Buckling, Bundling, and Pattern Formation: From Semi-Flexible Polymers to Assemblies of Interacting Filaments
pp. 898-911(14)
Authors: Kierfeld, Jan; Gutjahr, Petra; Kühne, Torsten; Kraikivski, Pavel; Lipowsky, Reinhard

From Sliding Nucleosomes to Twirling DNA Motors
pp. 912-921(10)
Authors: Kulić, Igor M.; Thaokar, Rochish; Schiessel, Helmut

A Robust Mathematical Formulation for Studying Elastically Coupled Motor-Cargo Systems
pp. 922-932(11)
Author: Wang, Hongyun

Mesoscopic Spatiotemporal Dynamics of Linear and Rotary Molecular Motors
pp. 933-950(18)
Authors: Gehrig, Edeltraud; Hess, Ortwin

The Gating Efficiency of Single-Molecule Transistors
pp. 951-956(6)
Authors: Kaun, Chao-Cheng; Seideman, Tamar

Molecular Conduction Characteristics from the Intrinsic Molecular Properties
pp. 957-963(7)
Author: Matsunaga, Nikita

Molecular Dynamical Simulations of Point Mutation Occurring at the 198-th Site of Prion Protein
pp. 964-969(6)
Authors: Zhang, Yong; Qian, Jun; Wang, Peng-Ye; Ou-Yang, Zhong-Can

Structural and Conductance Transitions of Rotaxane Based Nanostructures and Application in Nanorecording
pp. 970-981(12)
Authors: Gao, Hongjun; Ji, Wei; Feng, Min

Semi-Classical Quantization of the Shuttling Eigenstates in a [2]Rotaxane
pp. 982-988(7)
Authors: Silver, Ari; Sohlberg, Karl

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