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Volumn 112, Issue 2, 2004, Pages 68-74

Explicit definition of the reaction coordinate for the Jackels-Gu-Truhlar projection technique to compute harmonic vibrational frequencies along the intrinsic reaction path

Author keywords

Harmonic frequencies; Intrinsic reaction path; Jackels Gu Truhlar projection technique; Reaction coordinate

Indexed keywords

ANALYTIC METHOD; ARTICLE; CHEMICAL REACTION; GEOMETRY; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; VIBRATION;

EID: 2542473161     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-003-0560-1     Document Type: Article
Times cited : (3)

References (36)
  • 8
    • 0002646601 scopus 로고
    • Daudel R, Pullman B (eds) Reidel, Dordrecht
    • Fukui K (1974) In: Daudel R, Pullman B (eds) The world of quantum chemistry. Reidel, Dordrecht, p 113
    • (1974) The World of Quantum Chemistry , pp. 113
    • Fukui, K.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.