Thermal effects and vibrational corrections to transition metal NMR chemical shifts

Chemistry - A European Journal

Volumn 10, Issue 21, 2004, Pages 5541-5552

  Grigoleit, Sonja ^a   Bühl, Michael ^a  

^a MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

Author keywords

Density functional calculations; Molecular dynamics; NMR spectroscopy; Transition metals

Indexed keywords

MAGNETIC SHIELDING; METAL ANALYSIS; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; PERTURBATION TECHNIQUES; THERMAL EFFECTS; VIBRATION MEASUREMENT;

BOND LENGTH; CHEMICAL COMPLEXES; CHEMICAL SHIFTS; VIBRATIONAL CORRECTIONS;

TRANSITION METALS;

IRON COMPLEX; MANGANESE DERIVATIVE; TITANIUM; TRANSITION ELEMENT; VANADIUM DERIVATIVE;

ACCURACY; ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; GEOMETRY; MAGNETISM; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; SIMULATION; STRUCTURE ANALYSIS; TEMPERATURE DEPENDENCE; TEMPERATURE SENSITIVITY; VIBRATION;

EID: 8344253560     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/chem.200400256     Document Type: Article

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