Different models for the calculation of solvent effects on 17O nuclear magnetic shielding

Journal of Chemical Physics

Volumn 118, Issue 19, 2003, Pages 8863-8872

  Cossi, Maurizio ^a   Crescenzi, Orlando ^a  

^a UNIVERSITY OF NAPLES FEDERICO II   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; ELECTRONIC PROPERTIES; MAGNETIC SHIELDING; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; OPTIMIZATION; PERMITTIVITY; PROBABILITY DENSITY FUNCTION; SOLUTIONS; SOLVENTS; VAN DER WAALS FORCES;

GAUGE-INDEPENDENT ATOMIC ORBITAL; HYBRIDIZATION STATE; NUCLEAR MAGNETIC SHIELDING; POLARIZABLE CONTINUUM MODEL; SOLVENT EFFECT;

NUCLEAR MAGNETIC RESONANCE;

EID: 84962421767     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1566734     Document Type: Article

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