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The top documents tagged [qm methods]
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qm methods
2011 US Combustion Meeting - Kinetic Modeling of Methyl Formate Oxidation
1.223 views
Bias Correction
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CONTENT Doing Chemistry with Computers Description of the tools - classical and quantum models - dynamics - QM/MM: computation in a complex envirnoment.
215 views
The ONIOM Method in Gaussian 03
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