2 resultados para solid-state nuclear magnetic resonance
em Universitat de Girona, Spain
Resumo:
The performance of the SAOP potential for the calculation of NMR chemical shifts was evaluated. SAOP results show considerable improvement with respect to previous potentials, like VWN or BP86, at least for the carbon, nitrogen, oxygen, and fluorine chemical shifts. Furthermore, a few NMR calculations carried out on third period atoms (S, P, and Cl) improved when using the SAOP potential
Resumo:
Resum de les principals funcions que realitza la Unitat de Ressonànica Magnètica Nuclear de la UdG