Full vs. constrain geometry optimization in the open–closed method in estimating the energy of intramolecular charge-inverted hydrogen bonds

标题
Full vs. constrain geometry optimization in the open–closed method in estimating the energy of intramolecular charge-inverted hydrogen bonds
作者
关键词
-
出版物
CHEMICAL PHYSICS
Volume 376, Issue 1-3, Pages 76-83
出版商
Elsevier BV
发表日期
2010-08-11
DOI
10.1016/j.chemphys.2010.08.005

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