SCOPUS 정보 검색 플랫폼

Journal of the American Chemical Society

Volumn 126, Issue 18, 2004, Pages 5789-5797

Do Spin State Changes Matter in Organometallic Chemistry? A Computational Study

(2) Carreón Macedo, José Luis a Harvey, Jeremy N a

a UNIVERSITY OF BRISTOL (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; HYDROGEN; POTENTIAL ENERGY; REACTION KINETICS;

ENERGETICS; HIGH BARRIERS; ORGANOMETALLIC CHEMISTRY; SINGLET POTENTIAL ENERGY;

ORGANOMETALLICS;

CARBON MONOXIDE; COBALT DERIVATIVE; HYDROGEN; ORGANOMETALLIC COMPOUND;

ACCELERATION; ARTICLE; CALCULATION; CHEMICAL REACTION; CHEMISTRY; ENERGY; ENERGY TRANSFER; KINETICS; SURFACE PROPERTY;

EID: 17544400112 PISSN: 00027863 EISSN: None Source Type: Journal
DOI: 10.1021/ja049346q Document Type: Article

Times cited : (156)

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- note
- We do not claim that the BP86 functional, which is much less accurate than B3LYP for the G2 benchmark systems, should be used in preference to it in other cases without careful calibration.

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.