The structure of liquid N-methyl pyrrolidone probed by x-ray scattering and molecular simulations (Articolo in rivista)

Type

• Prodotto della ricerca (Classe)
• Articolo in rivista (Classe)

Label

• The structure of liquid N-methyl pyrrolidone probed by x-ray scattering and molecular simulations (Articolo in rivista) (literal)

Anno

• 2012-01-01T00:00:00+01:00 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi

• 10.1063/1.3684988 (literal)

Alternative label

• Lorenzo Gontrani, Ruggero Caminiti (2012)
  The structure of liquid N-methyl pyrrolidone probed by x-ray scattering and molecular simulations
  in The Journal of chemical physics; AIP, American institute of physics, Melville, NY (Stati Uniti d'America)
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• Lorenzo Gontrani, Ruggero Caminiti (literal)

Pagina inizio

• 074505 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 136 (literal)

Rivista

• ?The ?Journal of chemical physics (Rivista)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo

• 7 (literal)

Note

• ISI Web of Science (WOS) (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• CNR-Istituto di Struttura della Materia, Area della Ricerca di Roma Tor Vergata, Via del Fosso del Cavaliere 100, I-00133 Roma, Italy Dipartimento di Chimica, Sapienza Università di Roma, P. le Aldo Moro 5, I-00185 Roma, Italy (literal)

Titolo

• The structure of liquid N-methyl pyrrolidone probed by x-ray scattering and molecular simulations (literal)

Abstract

• The structural properties of liquid N-methyl pyrrolidone have been investigated by combining energy dispersive x-ray diffraction experiments and molecular dynamics simulations with generalized AMBER force field. A very good agreement between theoretical and experimental diffraction patterns was achieved. The analysis of the radial distribution functions shows that the methyl-carbonyl H-bond network observed in the crystal structure is partly preserved in the liquid structure. (literal)

Editore

• AIP, American institute of physics (Editore)

Prodotto di

• Institute of structure of matter (ISM) (Istituto)
• Struttura e dinamica su scala mesoscopica di sali liquidi (MD.P06.038.001) (Modulo)

Autore CNR

• LORENZO GONTRANI (Persona)

Incoming links:

Prodotto

• Institute of structure of matter (ISM) (Istituto)
• Struttura e dinamica su scala mesoscopica di sali liquidi (MD.P06.038.001) (Modulo)

Autore CNR di

• LORENZO GONTRANI (Persona)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• ?The ?Journal of chemical physics (Rivista)

Editore di

• AIP, American institute of physics (Editore)