Modeling through-space magnetic shielding over ethynyl, cyano, and nitro groups

Journal of Molecular Graphics and Modelling

Volumn 21, Issue 1, 2002, Pages 51-56

  Martin, Ned H ^a   Nance, Kimberly H ^a  

^a UNIVERSITY OF NORTH CAROLINA WILMINGTON   (United States)

Author keywords

bond; Functional group; GIAO HF; Isotropic shielding; Magnetic anisotropy; NMR

Indexed keywords

COVALENT BONDS; FUNCTIONAL GROUPS;

ALGORITHMS; ANISOTROPY; CHEMICAL BONDS; HYDROGEN; MAGNETIC SHIELDING; METHANE; NUCLEAR MAGNETIC RESONANCE; PROTONS;

MOLECULAR GRAPHICS;

CARBON; METHANE; NITRO DERIVATIVE; PROTON;

ACCURACY; ALGORITHM; ANISOTROPY; ARTICLE; CHEMICAL ANALYSIS; CHEMICAL BOND; CHEMICAL STRUCTURE; COMPUTER PROGRAM; COVALENT BOND; DATA BASE; MAGNETIC FIELD; MOLECULAR MODEL; PREDICTION; PRIORITY JOURNAL;

ANISOTROPY; CARBON; MAGNETIC RESONANCE SPECTROSCOPY; MAGNETICS; MATHEMATICS; MODELS, CHEMICAL; MOLECULAR STRUCTURE; NITROGEN; OXYGEN; PROTONS;

EID: 0036277960     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1093-3263(02)00120-1     Document Type: Article

References (38)