Catalogo Articoli (Spogli Riviste)

OPAC HELP

Titolo:
STRUCTURAL-PROPERTIES OF DILUTE AQUEOUS-SOLUTIONS OF DIMETHYLFORMAMIDE AND ACETONE BASED ON COMPUTER-SIMULATION
Autore:
BUSHUEV YG; KOROLEV VP;
Indirizzi:
IVANOVO STATE ACAD CHEM TECHNOL,7 UL ENGELSA IVANOVO 153460 RUSSIA IVANOVO STATE ACAD CHEM TECHNOL IVANOVO 153460 RUSSIA RUSSIAN ACAD SCI,INST CHEM NONAQUEOUS SOLUT IVANOVO 153045 RUSSIA
Titolo Testata:
Russian chemical bulletin
fascicolo: 4, volume: 47, anno: 1998,
pagine: 569 - 577
SICI:
1066-5285(1998)47:4<569:SODAOD>2.0.ZU;2-5
Fonte:
ISI
Lingua:
ENG
Soggetto:
INTERMOLECULAR POTENTIAL FUNCTIONS; THERMODYNAMIC PROPERTIES; WATER; MIXTURES; PEPTIDES; AMIDES; MODEL;
Keywords:
STRUCTURE OF WATER, AQUEOUS SOLUTIONS, HYDRATION; COMPUTER SIMULATION OF LIQUIDS, NETWORK OF H-BONDS;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Citazioni:
25
Recensione:
Indirizzi per estratti:
Citazione:
Y.G. Bushuev e V.P. Korolev, "STRUCTURAL-PROPERTIES OF DILUTE AQUEOUS-SOLUTIONS OF DIMETHYLFORMAMIDE AND ACETONE BASED ON COMPUTER-SIMULATION", Russian chemical bulletin, 47(4), 1998, pp. 569-577

Abstract

The Monte Carlo simulation of molecular configurations for aqueous solutions of N,N-dimethylformamide and acetone was carried out. The atom-atom radial distribution functions were determined. The topological properties of the I-I-bond system were investigated. The concentrationsof closed H-bond cycles and the radial distribution functions of their geometric centers were found. It was shown that the local arrangement of molecules and supermolecular assemblies typical of the I-I-bond network in neat water is retained in the solutions studied.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 02/12/20 alle ore 17:32:16