Correlated calculations of indirect nuclear spin-spin coupling constants using second-order polarization propagator approximations: SOPPA and SOPPA(CCSD)

Theoretical Chemistry Accounts

Volumn 100, Issue 5-6, 1998, Pages 275-284

  Enevoldsen, Thomas ^a   Oddershede, Jens ^a   Sauer, Stephan P A ^b  

^a UNIVERSITY OF SOUTHERN DENMARK   (Denmark)

^b UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

Basis set; NMR parameters; Second order polarization propagator approximation; Second order polarization propagator approximation with coupled cluster singles and doubles amplitudes; Spin spin coupling constants

Indexed keywords

EID: 0032509032     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s002140050388     Document Type: Article

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