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What all information could be derived from running Molecular Mechanics calculations??
Siddheshwar Chopra
sidhusai@gmail.com
Dear Sir,
Pardon me for asking this non-Firefly specific question. Could anyone tell me what all information I can obtain from MM calculations? Is it only the structural properties or can we also get chemical, optical etc. properties?
Is there any way of studying electron transport using Firefly?
Tue Feb 25 '14 12:02pm
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