"Comparison of linear-scaling semiempirical methods and combined quantum ..."

Stephen J. Titmuss et al. (2002)

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DOI: 10.1002/JCC.10122

access: closed

type: Journal Article

metadata version: 2020-04-01

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Stephen J. Titmuss, Peter L. Cummins, Alistair P. Rendell, Andrey A. Bliznyuk, Jill E. Gready:
Comparison of linear-scaling semiempirical methods and combined quantum mechanical/molecular mechanical methods for enzymic reactions. II. An energy decomposition analysis. J. Comput. Chem. 23(14): 1314-1322 (2002)

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