Analytical calculation of nuclear magnetic resonance indirect spin–spin coupling constants at the generalized gradient approximation and hybrid levels of density-functional theory

By Trygve Helgaker, M. Watson, Nicholas C. Handy. 2000

285 citations recorded by the source corpus.

Subfields: Biophysics, Electronic, Optical and Magnetic Materials, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/3f18c4600ccf3e28af3c0abb7d61eb4df9dc77c5