Hydrogen-bond assisted enormous broadening of infrared spectra of phenol-water cationic cluster: An ab initio mixed quantum-classical study

Journal of Chemical Physics

Volumn 126, Issue 7, 2007, Pages

  Yamashita, Takefumi ^a   Takatsuka, Kazuo ^a  

^a UNIVERSITY OF TOKYO   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

DNA; INFRARED SPECTROSCOPY; IONIZATION; MOLECULAR DYNAMICS; MONOMERS; PROTEINS; QUANTUM THEORY;

AB INITIO MIXED QUANTUM-CLASSICAL METHODS; HYDROGEN-BOND DYNAMICS; PHENOL-WATER CATIONIC CLUSTERS;

HYDROGEN BONDS;

HYDROXIDE; HYDROXIDE ION; PHENOL; UNCLASSIFIED DRUG; WATER;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; HYDROGEN BOND; INFRARED SPECTROPHOTOMETRY; QUANTUM THEORY;

HYDROGEN BONDING; HYDROXIDES; MOLECULAR STRUCTURE; PHENOL; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED; WATER;

EID: 33847224475     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2434778     Document Type: Article

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