Open AccessTheoretical Study of the Structure, Energetics, and the n−π* Electronic Transition of the Acetone + nH2O (n = 1−3) Complexes
Author(s) -
DaiWei Liao,
Alexander M. Mebel,
YitTsong Chen,
ShengHsien Lin
Publication year - 1997
Publication title -
the journal of physical chemistry a
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.756
H-Index - 235
eISSN - 1520-5215
pISSN - 1089-5639
DOI - 10.1021/jp972102q
Subject(s) - chemistry , ab initio , acetone , hydrogen bond , molecule , blueshift , density functional theory , energetics , oscillator strength , hydrogen atom , crystallography , hydrogen , molecular vibration , computational chemistry , spectral line , group (periodic table) , materials science , physics , organic chemistry , astronomy , photoluminescence , optoelectronics , thermodynamics
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