A comparison of calculated NMR shielding probes

Journal of Molecular Graphics and Modelling

Volumn 23, Issue 3, 2004, Pages 285-290

  Martin, Ned H ^a   Loveless, David M ^a   Wade, Dustin C ^a  

^a UNIVERSITY OF NORTH CAROLINA WILMINGTON   (United States)

Author keywords

Calculated isotropic shielding; GIAO HF; NMR computational probe; Npa charges

Indexed keywords

DIATOMIC HYDROGEN; FUNCTIONAL GROUPS; HYDROGEN NUCLEI; PROBE MOLECULES;

ANISOTROPY; HYDROGEN; HYDROGEN BONDS; MAGNETIC SHIELDING; METHANE; MOLECULES; NUCLEAR MAGNETIC RESONANCE;

MAGNETIC FIELDS;

ACETYLENE; BENZENE; DEUTERIUM; ETHYLENE; FUNCTIONAL GROUP; HELIUM; HYDROGEN; METHANE;

ANISOTROPY; ARTICLE; CALCULATION; GEOMETRY; MATHEMATICAL MODEL; MOLECULAR PROBE; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL;

ANISOTROPY; BENZENE; DEUTERIUM; ETHYLENES; HYDROGEN; HYDROGEN CYANIDE; MAGNETIC RESONANCE SPECTROSCOPY; METHANE; PROTONS;

EID: 7744220831     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2004.09.001     Document Type: Article

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