caa a22 4500 475761855 CHVBK 20180406123553.0 cr unu---uuuuu 170329e20000201xx s 000 0 eng 10.1007/BF02494665 doi (NATIONALLICENCE)springer-10.1007/BF02494665 Structural properties of liquid N -methylformamide [Elektronische Daten] [Yu. Bushuev, S. Davletbaeva] Monte Carlo simulation of liquidN-methylformamide was carried out at 298 K. The atom-atom spatial distribution functions, concentrations of closed cycles of H-bonds, radial distribution functions of geometric centers of the cycles, and other characteristics of the system of hydrogen bonds and the network built of the lines connecting neighboring molecules were calculated. The effects of electrostatic and van der Waals interactions as well as molecular conformations on the regularities of mutual arrangement of the molecules were investigated. It was found that open chains of H-bonds dominate over closed cycles. Spatial structure of liquidN0methylformamide is determined by packing of the molecules and steric factors and is close to the structure of a random closely packed system of soft spheres. Kluwer Academic/Plenum Publishers, 2000 organic solvents nationallicence amides nationallicence N -methylformamide nationallicence structure of liquid nationallicence intermolecular interactions nationallicence computer simulation of liquids nationallicence Monte Carlo method nationallicence Bushuev Yu Ivanovo State University of Chemical Technology, 7 prosp. F. Engel'sa, 153460, Ivanovo, Russian Federation aut Davletbaeva S. Institute of Solution Chemistry, Russian Academy of Sciences, 1 ul. Akademicheskaya, 153045, Ivanovo, Russian Federation aut Russian Chemical Bulletin Kluwer Academic Publishers-Plenum Publishers 49/2(2000-02-01), 238-250 1066-5285 49:2<238 2000 49 11172 https://doi.org/10.1007/BF02494665 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF02494665 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Bushuev Yu Ivanovo State University of Chemical Technology, 7 prosp. F. Engel'sa, 153460, Ivanovo, Russian Federation aut NATIONALLICENCE 700 1- Davletbaeva S. Institute of Solution Chemistry, Russian Academy of Sciences, 1 ul. Akademicheskaya, 153045, Ivanovo, Russian Federation aut NATIONALLICENCE 773 0- Russian Chemical Bulletin Kluwer Academic Publishers-Plenum Publishers 49/2(2000-02-01), 238-250 1066-5285 49:2<238 2000 49 11172 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer