Why many semiempirical molecular orbital theories fail for...

Journal of Computational Chemistry 2015 / 05 Vol. 36; Iss. 12

Why many semiempirical molecular orbital theories fail for liquid water and how to fix them

Welborn, Matthew, Chen, Jiahao, Wang, Lee-Ping, Van Voorhis, Troy
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Volume:
36
Language:
english
Journal:
Journal of Computational Chemistry
DOI:
10.1002/jcc.23887
Date:
May, 2015
File:
PDF, 348 KB
english, 2015
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