Hydrogen bond character and proton transfer behavior in water-thiophenol clusters and their cation radicals: Insight into water number size dependence

International Journal of Quantum Chemistry

Volumn 105, Issue 2, 2005, Pages 186-198

  Song, Lianxiang ^a   Bu, Yuxiang ^a   Li, Ping ^a  

^a SHANDONG UNIVERSITY   (China)

Author keywords

IR spectrum; Potential energy surface; Proton transfer; Spin density distribution; Thiophenol cation radical

Indexed keywords

HYDROGEN BONDS; MOLECULAR VIBRATIONS; PHENOLS; PROBABILITY DENSITY FUNCTION; WATER;

IR SPECTRUM; POTENTIAL ENERGY SURFACE; PROTON TRANSFER; SPIN DENSITY DISTRIBUTION; THIOPHENOL CATION RADIAL;

MOLECULAR STRUCTURE;

EID: 27744570810     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.20697     Document Type: Article

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