SCOPUS 정보 검색 플랫폼

Volumn 4, Issue 5, 2002, Pages 722-731

Analysis of the effect of changing the a0 parameter of the Becke3-LYP hybrid functional on the transition state geometries and energy barriers in a series of prototypical reactions

(4) Poater, Jordi a Solà, Miguel a Duran, Miguel a Robles, Juvencio a

a UNIVERSITY OF GIRONA (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ACCURACY; ANALYTICAL PARAMETERS; ARTICLE; CALCULATION; ENERGY; ENERGY TRANSFER; GAS; GEOMETRY; THERMODYNAMICS;

EID: 0036204538 PISSN: 14639076 EISSN: None Source Type: Journal
DOI: 10.1039/b108910m Document Type: Article

Times cited : (51)

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