Open AccessTemperature-dependent vibrational spectra and structure of liquid water from classical and quantum simulations with the MB-pol potential energy function
Author(s) -
Sandeep K. Reddy,
Daniel R. Moberg,
Shelby C. Straight,
Francesco Paesani
Publication year - 2017
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.5006480
Subject(s) - spectral line , molecular dynamics , quantum , chemistry , potential energy , water model , raman spectroscopy , atomic physics , function (biology) , infrared spectroscopy , molecular physics , physics , computational chemistry , quantum mechanics , organic chemistry , evolutionary biology , biology
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