Nuclear magnetic resonance spin-spin coupling constants from coupled perturbed density functional theory

Journal of Chemical Physics

Volumn 113, Issue 9, 2000, Pages 3530-3547

  Sychrovský, Vladimiŕ ^a   Gräfenstein, Jürgen ^a   Cremer, Dieter ^a  

^a UNIVERSITY OF GOTHENBURG   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; EIGENVALUES AND EIGENFUNCTIONS; HYDROCARBONS; MAGNETIC FIELDS; MAGNETIC MOMENTS; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PERTURBATION TECHNIQUES;

COUPLED PERTURBED DENSITY FUNCTIONAL THEORY; ELECTROSTAIC INTERACTION ENERGY; FERMI CONTACT INTERACTIONS; PARAMAGNETIC SPIN-ORBIT INTERACTIONS; SCALAR SPIN-SPIN COUPLING CONSTANTS;

PROBABILITY DENSITY FUNCTION;

EID: 0034271229     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1286806     Document Type: Article

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