Comparison of quantum, classical, and ring-polymer molecular dynamics infra-red spectra of Cl-(H2O) and H+(H2O)2

Chemical Physics Letters

Volumn 450, Issue 4-6, 2008, Pages 253-257

  Huang, Xinchuan ^a   Habershon, Scott ^b   Bowman, Joel M ^c  

^a NASA AMES RESEARCH CENTER   (United States)

^b UNIVERSITY OF OXFORD   (United Kingdom)

^c EMORY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DIPOLE MOMENT; INFRARED RADIATION; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY;

QUANTUM CALCULATIONS; RING-POLYMERS;

CHLORINE COMPOUNDS;

EID: 37549008399     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.11.048     Document Type: Article

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