Calculation of Hyperfine Tensors and Paramagnetic NMR Shifts Using the Relativistic Zeroth-Order Regular Approximation and Density Functional Theory-Reference-Cited by-同舟云学术

Calculation of Hyperfine Tensors and Paramagnetic NMR Shifts Using the Relativistic Zeroth-Order Regular Approximation and Density Functional Theory

Author:

Autschbach Jochen¹,Patchkovskii Serguei²,Pritchard Ben¹

Affiliation:

1. Department of Chemistry, State University of New York at Buffalo, Buffalo, New York 14260-3000, United States

2. National Research Council of Canada, 100 Sussex Drive Ottawa, Ontario K1A 0R6, Canada

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

Reference67 articles.

1. Atherton, N. M.Ellis Horwood Series in Physical Chemistry;Ellis Horwood, PTR Prentice Hall:New York, 1993; pp46–50, 210.

2. Rieger, P. H.Electron Spin Resonance. Analysis and Interpretation;The Royal Society of Chemistry:Cambridge, U.K., 2007; p3.

3. Abragam, A.; Bleaney, B.Electron Paramagnetic Resonance of Transition Ions;Clarendon Press:Oxford, U.K., 1970; pp133–216.

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