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Volumn 99, Issue 3, 1998, Pages 158-165

Inclusion of exact exchange for self-interaction corrected H3 density functional potential energy surface

Author keywords

B3LYP and B3PW functionals; Hydrogen abstraction reaction barrier; Self interaction components; Self interaction corrected molecular geometries; Self interaction corrected total energies

Indexed keywords


EID: 0032383471     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002140050318     Document Type: Article
Times cited : (67)

References (46)
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    • Q-Chem Inc., 317 Whipple Street, Pittsburgh, PA 15218, USA
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.