SCOPUS 정보 검색 플랫폼

Volumn 115, Issue 23, 2001, Pages 10647-10655

Generation of full-dimensional potential energy surface of intramolecular hydrogen atom transfer in malonaldehyde and tunneling dynamics

(3) Yagi, Kiyoshi a Taketsugu, Tetsuya b Hirao, Kimihiko a

a UNIVERSITY OF TOKYO (Japan)

b OCHANOMIZU UNIVERSITY (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ELECTRON TUNNELING; GROUND STATE; HYDROCARBONS; HYDROGEN; HYDROGEN BONDS; INTERPOLATION; ISOMERIZATION; PERTURBATION TECHNIQUES; POTENTIAL ENERGY;

CLASSICAL TRAJECTORY SIMULATION; INTRAMOLECULAR HYDROGEN ATOM TRANSFER; MALONALDEHYDE; MODIFIED SHEPARD INTERPOLATION SCHEME; TUNNELING DYNAMICS; TUNNELING SPLITTING;

MOLECULAR DYNAMICS;

EID: 0035894402 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1418436 Document Type: Article

Times cited : (100)

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