Relative importance of first and second derivatives of nuclear magnetic resonance chemical shifts and spin-spin coupling constants for vibrational averaging-Reference-Cited by-同舟云学术

Relative importance of first and second derivatives of nuclear magnetic resonance chemical shifts and spin-spin coupling constants for vibrational averaging

Published:2009-03-07 Issue:9 Volume:130 Page:094106
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Dračínský Martin,Kaminský Jakub,Bouř Petr

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.3081317

Reference62 articles.

1. Calculation of NMR and EPR Parameters

2. Ab initiocalculations of NMR chemical shifts

3. Nuclear magnetic resonance spin–spin coupling constants from coupled perturbed density functional theory

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

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