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14 Feb 2006 | Tools | Contributor(s): Baudilio Tejerina
Quantum Chemsitry Lab: Ab Initio and DFT molecular and electronic structure calculations of small molecules
Quantum Chemistry Part II
08 Jul 2004 | Online Presentations | Contributor(s): George C. Schatz
This tutorial will provide an overview of electronic structure calculations from a chemist's perspective. This will include a review of the basic electronic structure theories.
Einstein/Bohr Debate and Quantum Computing
10 May 2005 | Online Presentations | Contributor(s): Karl Hess
This presentation deals with the Einstein/Bohr Debate and Quantum Computing.
Chemistry of Molecular Monolayers
09 Jul 2003 | Online Presentations | Contributor(s): David Allara
Quantum Chemistry Part I
08 Jul 2004 | Online Presentations | Contributor(s): Mark A. Ratner
REBO Nanofluidics Exercise
10 May 2006 | Teaching Materials | Contributor(s): Susan Sinnott, Hetal Patel
Nanofluidics exercise showing the variation of energy and position of methane and butane molecules flowing through an opened carbon nanotube as the system temperature and the length of the nanotube …
Contacting Molecules - Chemistry in Molecular Electronics
12 Apr 2004 | Online Presentations | Contributor(s): Ilona Kretzschmar
The study of the basic electron transport mechanism through molecular systems has been made accessible by fabrication techniques that create metallic contacts to a small number of organic molecules. …
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