Interfacing Q‐Chem and CHARMM to perform QM/MM reaction path calculations

Publisher: John Wiley & Sons Inc

E-ISSN: 1096-987x|28|9|1485-1502

ISSN: 0192-8651

Source: JOURNAL OF COMPUTATIONAL CHEMISTRY, Vol.28, Iss.9, 2007-07, pp. : 1485-1502

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Abstract