Geometric isotope effects on small chloride ion water clusters with path integral molecular dynamics simulations

Chemical Physics

Volumn 426, Issue , 2013, Pages 38-47

  Wang, Qi ^a   Suzuki, Kimichi ^b   Nagashima, Umpei ^a,b   Tachikawa, Masanori ^c   Yan, Shiwei ^d  

^a UNIVERSITY OF TSUKUBA   (Japan)

^b NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^c YOKOHAMA CITY UNIVERSITY   (Japan)

^d Beijing Normal University ^*  (China)

Author keywords

Chloride ion water clusters; Geometric isotope effect; Nuclear quantum effect; Path integral molecular dynamics; Semi empirical potentials

Indexed keywords

EID: 84886743482     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2013.10.003     Document Type: Article

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