Review on DFT and ab initio calculations of scalar coupling constants

International Journal of Molecular Sciences

Volumn 4, Issue 3, 2003, Pages 64-92

  Alkorta, Ibon ^a   Elguero, José ^a  

^a INSTITUTO DE QUÍMICA MÉDICA   (Spain)

Author keywords

Coupling constants; Hydrogen bonds; Supermolecules; Van der Waals complexes

Indexed keywords

TETRABUTYLAMMONIUM;

AB INITIO CALCULATION; DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE; HYDROGEN BOND; MOLECULAR INTERACTION; NUCLEAR MAGNETIC RESONANCE; REVIEW;

EID: 1642390015     PISSN: 14220067     EISSN: None     Source Type: Journal    
DOI: 10.3390/i4030064     Document Type: Review

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