Benchmarking NMR indirect nuclear spin-spin coupling constants: SOPPA, SOPPA(CC2), and SOPPA(CCSD) versus CCSD

Journal of Chemical Physics

Volumn 133, Issue 14, 2010, Pages

  Kjr, Hanna ^a   Sauer, Stephan P A ^a   Kongsted, Jacob ^b  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

^b UNIVERSITY OF SOUTHERN DENMARK   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; CORRELATED WAVE FUNCTIONS; NON-HYDROGEN ATOMS; NUCLEAR SPINS; ORBITALS; SPIN-SPIN COUPLING CONSTANTS;

OPTIMIZATION; SPIN DYNAMICS;

NUCLEAR MAGNETIC RESONANCE;

EID: 77958082997     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3483197     Document Type: Article

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