caa a22 4500 475762193 CHVBK 20180406123554.0 cr unu---uuuuu 170329e20001101xx s 000 0 eng 10.1007/BF02494915 doi (NATIONALLICENCE)springer-10.1007/BF02494915 A simple method for evaluation of the self-consistency of the radial distribution functions and the orientation of water molecules in the first coordination sphere from the results of molecular dynamics calculations [Elektronische Daten] [V. Petrenko, M. Dubova, Yu. Kessler, M. Perova] A simple method for determination of the angular orientation of water molecules in the first coordination sphere from the radial distribution functions is proposed. A comparative analysis of the ability of the model potentials of pair interaction to take into account the effects of manybody interactions (MBI) was performed. The responses of the model pair potentials to the MBI effects in the first and second coordination spheres were found to be poorly correlated with each other. It was concluded that it is necessary to derive a new analytical type of potential functions of pair interaction. Kluwer Academic/Plenum Publishers, 2000 intermolecular interactions nationallicence potential functions of pair interaction nationallicence radial distribution functions nationallicence computer simulation of liquids nationallicence Petrenko V. Institute of Chemistry of Solutions, Russian Academy of Sciences, 1 ul. Akademicheskaya, 153043, Ivanovo, Russian Federation aut Dubova M. Institute of Chemistry of Solutions, Russian Academy of Sciences, 1 ul. Akademicheskaya, 153043, Ivanovo, Russian Federation aut Kessler Yu Institute of Chemistry of Solutions, Russian Academy of Sciences, 1 ul. Akademicheskaya, 153043, Ivanovo, Russian Federation aut Perova M. Ivanovo State University of Chemistry and Technology, 7 prosp. F. Engel'sa, 53460, Ivanovo, Russian Federation aut Russian Chemical Bulletin Kluwer Academic Publishers-Plenum Publishers 49/11(2000-11-01), 1815-1819 1066-5285 49:11<1815 2000 49 11172 https://doi.org/10.1007/BF02494915 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF02494915 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Petrenko V. Institute of Chemistry of Solutions, Russian Academy of Sciences, 1 ul. Akademicheskaya, 153043, Ivanovo, Russian Federation aut NATIONALLICENCE 700 1- Dubova M. Institute of Chemistry of Solutions, Russian Academy of Sciences, 1 ul. Akademicheskaya, 153043, Ivanovo, Russian Federation aut NATIONALLICENCE 700 1- Kessler Yu Institute of Chemistry of Solutions, Russian Academy of Sciences, 1 ul. Akademicheskaya, 153043, Ivanovo, Russian Federation aut NATIONALLICENCE 700 1- Perova M. Ivanovo State University of Chemistry and Technology, 7 prosp. F. Engel'sa, 53460, Ivanovo, Russian Federation aut NATIONALLICENCE 773 0- Russian Chemical Bulletin Kluwer Academic Publishers-Plenum Publishers 49/11(2000-11-01), 1815-1819 1066-5285 49:11<1815 2000 49 11172 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer