Direct observation of the solvent organization and nuclear vibrations of [Ru(dcbpy)2(NCS)2]4-, [dcbpy = (4,4'-dicarboxy-2,2'-bipyridine)], via ab initio molecular dynamics.

Perrella, Fulvio; Petrone, Alessio; Rega, Nadia

Direct observation of the solvent organization and nuclear vibrations of [Ru(dcbpy)₂(NCS)₂]^4-, [dcbpy = (4,4'-dicarboxy-2,2'-bipyridine)], via ab initio molecular dynamics.

Perrella, Fulvio; Petrone, Alessio; Rega, Nadia.

Afiliação

Perrella F; Department of Chemical Sciences, University of Napoli Federico II, Complesso Universitario di M.S. Angelo, via Cintia 21, I-80126, Napoli, Italy. alessio.petrone@unina.it.
Petrone A; Department of Chemical Sciences, University of Napoli Federico II, Complesso Universitario di M.S. Angelo, via Cintia 21, I-80126, Napoli, Italy. alessio.petrone@unina.it.
Rega N; Scuola Superiore Meridionale, Largo San Marcellino 10, I-80138, Napoli, Italy.

Phys Chem Chem Phys ; 23(40): 22885-22896, 2021 Oct 20.

Article em En | MEDLINE | ID: mdl-34668499

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2021 Tipo de documento: Article