Zobrazeno 1 - 10
of 25
pro vyhledávání: '"E. D. Belega"'
Publikováno v:
Компьютерные исследования и моделирование, Vol 1, Iss 1, Pp 13-20 (2009)
The measure of regular and chaotic component in dynamics of van-der-Waals clusters has been obtained by Monte Carlo method at different values of the total energy and the angular momentum. The nonmonotonic dependence of the volume of chaotic componen
Externí odkaz:
https://doaj.org/article/f640080e09914143b2d16ef3fe5f7e1c
Publikováno v:
Physical Review A. 107
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9b6c3ceb3c7a80083d5c4d3f34e2b3ba
https://doi.org/10.1103/physreva.107.032812
https://doi.org/10.1103/physreva.107.032812
Publikováno v:
Doklady Physics. 65:355-358
The paper proposes an approach to estimate the number of modes of collective movement of particles in weakly bound molecular systems, based on the principal component analysis. The example of the water molecule cluster (H2O)8 shows significant differ
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8a72b4bd62dcac7f6a78ae18254ab032
https://doi.org/10.1134/s1028335820100018
https://doi.org/10.1134/s1028335820100018
Autor:
E. D. Belega, D. N. Trubnikov
Publikováno v:
Доклады Академии наук. 484:659-662
The molecular dynamics method was used to analyze the dynamic characteristics of water clusters in the solid and liquid phase. A criterion is proposed for choosing the interaction potential, which is based on the distributions of the potential energy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::da59a1a1846391281b07caaa0d405dd4
https://doi.org/10.31857/s0869-56524846659-662
https://doi.org/10.31857/s0869-56524846659-662
Autor:
Dmitrii N. Trubnikov, E. D. Belega
Publikováno v:
Doklady Mathematics. 99:83-86
The molecular dynamics method was used to analyze the dynamic characteristics of water clusters in the solid and liquid phase. A criterion is proposed for choosing the interaction potential, which is based on the distributions of the potential energy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4d2298791c4bbb19ed6e2ae1654dbfbe
https://doi.org/10.1134/s1064562419010265
https://doi.org/10.1134/s1064562419010265
Autor:
E. D. Belega
Publikováno v:
Structural Chemistry. 30:595-603
This paper presents the results of dynamic behavior modeling of phase states (solid and liquid) of water clusters ((H2O)8, (H2O)10, and (H2O)12) by molecular dynamics method. The initial configurations of the clusters were cube for octamer, pentagona
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4cb8fb53080c4a3a8bf75ea5e855633c
https://doi.org/10.1007/s11224-018-1249-3
https://doi.org/10.1007/s11224-018-1249-3
Publikováno v:
Doklady Mathematics. 98:592-595
The method of molecular dynamics was used for modeling the isomerization of a hydrogen bonding network in small water clusters (hexamer and octamer). The collective modes of the particles moving in the clusters were determined by applying principal c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7f49afaf1af6fc185db284d2a3344574
https://doi.org/10.1134/s1064562418070177
https://doi.org/10.1134/s1064562418070177
Publikováno v:
Journal of Structural Chemistry. 59:1381-1386
The study concerns the dynamics of a network of hydrogen bonds in small water clusters (on the example of hexamer and octamer clusters). The numerical experiment is carried out with the molecular dynamics method using two analytical rigid potentials
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::db66b1339d12918bf951b1e50eaa29fa
https://doi.org/10.1134/s0022476618060185
https://doi.org/10.1134/s0022476618060185
Autor:
A. I. Aptekarev, E. D. Belega
Publikováno v:
Russian Mathematical Surveys. 73:922-924
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4d99bd9bb6cd6363da499615339f1158
https://doi.org/10.1070/rm9854
https://doi.org/10.1070/rm9854
Publikováno v:
International Journal of Quantum Chemistry. 119
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6870ada28a28b8f7690a613bbdfac84f
https://doi.org/10.1002/qua.25977
https://doi.org/10.1002/qua.25977