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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 105, 2007 - Issue 2-3: Foundations of Molecular Modeling and Simulation FOMMS 2006
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Original Articles

Calibration of chemical bonding between benzenedithiolate and gold: the effects of geometry and size of gold clusters

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Pages 293-300 | Received 15 Jun 2006, Accepted 05 Jan 2007, Published online: 04 Dec 2010

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