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MolCToy
Computes current-voltage (I-V) characteristics and conductance spectrum (G-V) of a molecule sandwiched between two metallic contacts
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Publications

Quantum Transport: Atom to Transistor
by Supriyo Datta (Cambridge - July 11, 2005)
This book presents a unique approach to the fundamentals of quantum transport, and is aimed at senior undergraduate and graduate students. Some of the most advanced concepts of non-equilibrium statistical mechanics are included and yet no prior acquaintance with quantum mechanics is assumed.

Handbook of Nanoscience, Engineering, and Technology - Second Edition
W. A. Goddard, D. Brenner, S. E. Lyshevski, G. J. Iafrate, editors (CRC Press / Taylor & Francis Group - May 3, 2007)
Presents the current state and future directions of the nano field as viewed by the top experts in each area. Includes a chapter on Resistance of a Molecule, which describes the theory behind the MolCToy simulation tool.
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