Experimental and computational study of isotopic effects within the Zundel ion

Chemical Physics Letters

Volumn 408, Issue 4-6, 2005, Pages 439-444

  Devlin, J P ^a   Severson, M W ^b   Mohamed, F ^c   Sadlej, J ^d   Buch, V ^e   Parrinello, M ^c  

^a OKLAHOMA STATE UNIVERSITY   (United States)

^b OAKLAND UNIVERSITY   (United States)

^c ETH ZURICH   (Switzerland)

^d UNIVERSITY OF WARSAW   (Poland)

^e HEBREW UNIVERSITY OF JERUSALEM   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; CRYSTALLINE MATERIALS; DISCRETE FOURIER TRANSFORMS; HYDROGEN; INFRARED RADIATION; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PROBABILITY; WATER;

HALIDE IONS; ISOTOPIC EFFECTS; WATER DIMERS; ZUNDEL IONS;

IONS;

EID: 19744371524     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.04.087     Document Type: Article

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