Monday, August 25, 2008

Progress in Nuclear Magnetic Resonance Spectroscopy up to Nov. 2008

Progress in Nuclear Magnetic Resonance Spectroscopy
Volume 53, Issue 4, November 2008, Pages 249-268
doi:10.1016/j.pnmrs.2008.02.002

The quantum-chemical calculation of NMR indirect spin–spin coupling constants

Trygve Helgaker, Michał Jaszuński and Magdalena Pecul

Keywords: Spin-spin coupling constants; Electronic-structure theory; Quantum chemistry; Ab initio calculations; Density-functional theory

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