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Volumn 112, Issue 2, 2004, Pages 68-74
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Explicit definition of the reaction coordinate for the Jackels-Gu-Truhlar projection technique to compute harmonic vibrational frequencies along the intrinsic reaction path
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Author keywords
Harmonic frequencies; Intrinsic reaction path; Jackels Gu Truhlar projection technique; Reaction coordinate
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Indexed keywords
ANALYTIC METHOD;
ARTICLE;
CHEMICAL REACTION;
GEOMETRY;
MATHEMATICAL COMPUTING;
MATHEMATICAL MODEL;
VIBRATION;
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EID: 2542473161
PISSN: 1432881X
EISSN: None
Source Type: Journal
DOI: 10.1007/s00214-003-0560-1 Document Type: Article |
Times cited : (3)
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References (36)
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