From correlation-consistent to polarization-consistent basis sets estimation of NMR spin-spin coupling constant in the B3LYP Kohn-Sham basis set limit

Chemical Physics Letters

Volumn 461, Issue 1-3, 2008, Pages 33-37

  Kupka, Teobald ^a  

^a UNIVERSITY OF OPOLE   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

CONTEXT SENSITIVE GRAMMARS; ELECTRIC CIRCUIT BREAKERS; MOLECULAR ORBITALS; NUCLEAR MAGNETIC RESONANCE; PARAMETER ESTIMATION; STANDARDS;

(001) PARAMETER; BASIS SETS; COMPLETE BASIS SET (CBS) LIMITS; KOHN-SHAM BASIS; SPIN-SPIN COUPLING CONSTANTS; SPIN-SPIN COUPLING CONSTANTS (SSCC); STANDARD DEVIATION (STD);

SPIN DYNAMICS;

EID: 48149112448     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.06.087     Document Type: Article

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