Exploiting QM/MM Capabilities in Geometry Optimization:  A...

Journal of Chemical Theory and Computation 2007 / 05 Vol. 3; Iss. 3

Exploiting QM/MM Capabilities in Geometry Optimization:  A Microiterative Approach Using Electrostatic Embedding

Kästner, Johannes, Thiel, Stephan, Senn, Hans Martin, Sherwood, Paul, Thiel, Walter
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Volume:
3
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct600346p
Date:
May, 2007
File:
PDF, 133 KB
english, 2007
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