Infrared spectra of water molecule encapsulated inside fullerene studied by instantaneous vibrational analysis

International Journal of Quantum Chemistry

Volumn 109, Issue 10, 2009, Pages 2080-2090

  Yagi, Kiyoshi ^a,b   Watanabe, Daichi ^a  

^a UNIVERSITY OF TOKYO   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

Endohedral fullerene; Infrared spectrum; Vibrational structure theory

Indexed keywords

ASYMMETRIC STRETCHING; BLUE-SHIFTED; ELECTRONIC STRUCTURE THEORY; ENDOHEDRAL FULLERENE; INFRARED SPECTRUM; INSTANTANEOUS NORMAL MODES; MOLECULAR DYNAMICS SIMULATIONS; STRETCHING REGION; SYMMETRIC STRETCHING; TRANSLATIONAL MOTIONS; VIBRATIONAL ANALYSIS; VIBRATIONAL CONFIGURATION-INTERACTION; VIBRATIONAL FREQUENCIES; VIBRATIONAL STRUCTURE THEORY; WATER MOLECULE;

DYNAMICS; ELECTRONIC STRUCTURE; FULLERENES; MOLECULAR DYNAMICS; MOLECULAR SPECTROSCOPY; MOLECULES; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SPECTRUM ANALYSIS; SURFACE STRUCTURE; WATER ANALYSIS;

INFRARED SPECTROSCOPY;

EID: 67649823615     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22066     Document Type: Article

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