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Volumn 4, Issue 4, 2003, Pages 382-384

Quasiharmonic vibrations of water, water dimer, and liquid water from principal component analysis of quantum or QM/MM trajectories

Author keywords

Ab initio calculations; Density functional calculations; Molecular dynamics; Vibrational spectroscopy; Water

Indexed keywords

CALCULATIONS; DENSITY FUNCTIONAL THEORY; DIMERS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; PRINCIPAL COMPONENT ANALYSIS; QUANTUM THEORY; VIBRATIONAL SPECTROSCOPY; WATER;

EID: 0037437247     PISSN: 14394235     EISSN: None     Source Type: Journal    
DOI: 10.1002/cphc.200390066     Document Type: Article
Times cited : (41)

References (40)
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.