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Volumn 99, Issue 3, 1998, Pages 158-165
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Inclusion of exact exchange for self-interaction corrected H3 density functional potential energy surface
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Author keywords
B3LYP and B3PW functionals; Hydrogen abstraction reaction barrier; Self interaction components; Self interaction corrected molecular geometries; Self interaction corrected total energies
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Indexed keywords
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EID: 0032383471
PISSN: 1432881X
EISSN: None
Source Type: Journal
DOI: 10.1007/s002140050318 Document Type: Article |
Times cited : (67)
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References (46)
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