NQR parameters: Electric field gradient tensor and asymmetry parameter studied in terms of density functional theory

International Journal of Quantum Chemistry

Volumn 91, Issue 3 SPEC, 2003, Pages 284-296

  Latosinska J N ^a  

^a ADAM MICKIEWICZ UNIVERSITY   (Poland)

Author keywords

Ab initio; DFT; NQR; QCC

Indexed keywords

CALCULATIONS; COMPUTATIONAL METHODS; ELECTRIC FIELDS; ELECTRONS; HALOGEN COMPOUNDS; NITROGEN COMPOUNDS; PROBABILITY DENSITY FUNCTION; SET THEORY; TENSORS;

ALL ELECTRONS METHOD; ASYMMETRY PARAMETER; BASIS SETS; DENSITY FUNCTIONAL THEORY; ELECTRIC FIELD GRADIENT; NUCLEAR QUADRUPOLE RESONANCE; QUADRUPOLE COUPLING CONSTANTS;

NUCLEAR MAGNETIC RESONANCE;

EID: 0037454922     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10451     Document Type: Article

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