Infrared spectrum of the O···H···O fragment of H5O2+: Ab initio classical molecular dynamics and quantum 4D model calculations

Journal of Chemical Physics

Volumn 114, Issue 1, 2001, Pages 240-249

  Vener, Mikhail V ^a   Kühn, Oliver ^b   Sauer, Joachim ^a  

^a HUMBOLDT UNIVERSITY   (Germany)

^b FREIE UNIVERSITÄT BERLIN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DEUTERIUM; ELECTRON ENERGY LEVELS; HYDROGEN BONDS; INFRARED RADIATION; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; POTENTIAL ENERGY; PROTONS; QUANTUM THEORY; SPECTRUM ANALYSIS;

POTENTIAL ENERGY SURFACE; PROTONATED WATER DIMER;

WATER;

EID: 0342936427     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1330748     Document Type: Article

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