The optimum contraction of basis sets for calculating spin-spin coupling constants

Theoretical Chemistry Accounts

Volumn 126, Issue 5, 2010, Pages 371-382

  Jensen, Frank ^a  

^a AARHUS UNIVERSITY   (Denmark)

Author keywords

Basis set contraction; DFT; Spin spin coupling constants

Indexed keywords

EID: 77954865498     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-009-0699-5     Document Type: Article

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