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Quantum Chemistry Part II
Online Presentations | 08 Jul 2004 | Contributor(s):: George C. Schatz
This tutorial will provide an overview of electronic structure calculations from achemist's perspective. This will include a review of the basic electronic structuretheories.
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Chemistry of Molecular Monolayers
Presentation Materials | 09 Jul 2003 | Contributor(s):: David Allara
Chemistry of Molecular Monolayers
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Quantum Chemistry Part I
Online Presentations | 08 Jul 2004 | Contributor(s):: Mark Ratner
This tutorial will provide an overview of electronic structure calculations from achemist's perspective. This will include a review of the basic electronic structuretheories.
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REBO Nanofluidics Exercise
Teaching Materials | 10 May 2006 | 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 are varied.
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Contacting Molecules - Chemistry in Molecular Electronics
Online Presentations | 12 Apr 2004 | 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. In my talk, I will discuss some of the groundbreaking discoveries such as the measurement of the...