How does the NMR thermometer work? Application of combined quantum molecular dynamics and GIPAW calculations into the study of lead nitrate.

Szeleszczuk, Lukasz; Pisklak, Dariusz M; Zielinska-Pisklak, Monika

Szeleszczuk, Lukasz; Pisklak, Dariusz M; Zielinska-Pisklak, Monika.

Afiliación

Szeleszczuk L; Faculty of Pharmacy with the Laboratory Medicine Division, Department of Physical Chemistry, Medical University of Warsaw, Chair of Physical Pharmacy and Bioanalysis, Banacha 1, 02-093, Warsaw, Poland.
Pisklak DM; Department of Physical Pharmacy and Bioanalysis, Medical University of Warsaw, 02-093, Warsaw, Poland.
Zielinska-Pisklak M; Faculty of Pharmacy with the Laboratory Medicine Division, Department of Physical Chemistry, Medical University of Warsaw, Chair of Physical Pharmacy and Bioanalysis, Banacha 1, 02-093, Warsaw, Poland.

J Comput Chem ; 40(6): 811-819, 2019 03 05.

Article en En | MEDLINE | ID: mdl-30586162

Palabras clave

CASTEP; DFT; GIPAW; NMR; Pb(NO3)2; lead nitrate; quantum dynamics; thermometer

Texto completo

Añadir a Mi BVS

Imprimir

XML

PubMed Links

Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Comput Chem Asunto de la revista: QUIMICA Año: 2019 Tipo del documento: Article País de afiliación: Polonia Pais de publicación: Estados Unidos

Texto completo

Añadir a Mi BVS

Imprimir

XML

PubMed Links

Buscar en Google