A density functional study of nuclear magnetic resonance spin–spin coupling constants in transition-metal systems

Jana Khandogin; Tom Ziegler

doi:10.1016/s1386-1425(98)00265-0

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A density functional study of nuclear magnetic resonance spin–spin coupling constants in transition-metal systems

Jana Khandogin Tom Ziegler

Year: 1999 Journal: Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy Vol: 55 (3)Pages: 607-624 Publisher: Elsevier BV

DOI: 10.1016/s1386-1425(98)00265-0

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Keywords:

Atomic orbital Coupling constant Chemistry Lone pair Fermi contact interaction Density functional theory Valence (chemistry) Molecular orbital Paramagnetism Atomic physics Condensed matter physics Computational chemistry Physics Molecule Quantum mechanics Electron

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Magnetism in coordination complexes

Physical Sciences → Materials Science → Electronic, Optical and Magnetic Materials

Lanthanide and Transition Metal Complexes

Physical Sciences → Materials Science → Materials Chemistry

Advanced NMR Techniques and Applications

Physical Sciences → Chemistry → Spectroscopy

A density functional study of nuclear magnetic resonance spin–spin coupling constants in transition-metal systems

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