Recent advances in computational 31 P NMR: Part 1. Chemical shifts.
Magn Reson Chem
; 58(6): 478-499, 2020 Jun.
Article
em En
| MEDLINE
| ID: mdl-31703153
ABSTRACT
This is the first part of two closely related reviews dealing with the computation of phosphorus-31 nuclear magnetic resonance chemical shifts in a wide series of organophosphorus compounds including complexes, clusters, and bioorganic phosphorus compounds. In particular, the analysis of the accuracy factors, such as substitution effects, solvent effects, vibrational corrections, and relativistic effects, is presented. This review is dedicated to the Full Member of the Russian Academy of Sciences Professor Boris A. Trofimov in view of his invaluable contribution to the field of synthesis, nuclear magnetic resonance, and computation studies of organophosphorus compounds.
Palavras-chave
Texto completo:
1
Base de dados:
MEDLINE
Assunto principal:
Compostos Organofosforados
/
Espectroscopia de Ressonância Magnética
/
Simulação de Dinâmica Molecular
Idioma:
En
Revista:
Magn Reson Chem
Ano de publicação:
2020
Tipo de documento:
Article
País de afiliação:
Federação Russa