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On the strength of hydrogen bonding within water clusters on the coordination limit.
J Comput Chem. 2020 Oct 5;41(26):2266-2277. doi: 10.1002/jcc.26391. Epub 2020 Aug 6.
J Comput Chem. 2020.
PMID: 32761858
Efficient implementation of the interacting quantum atoms energy partition of the second-order Møller-Plesset energy.
Casals-Sainz JL, Guevara-Vela JM, Francisco E, Rocha-Rinza T, Martín Pendás Á.
Casals-Sainz JL, et al.
J Comput Chem. 2020 May 15;41(13):1234-1241. doi: 10.1002/jcc.26169. Epub 2020 Feb 14.
J Comput Chem. 2020.
PMID: 32058617
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