Zobrazeno 1 - 10
of 95
pro vyhledávání: '"Yu I, Naberukhin"'
Autor:
V. P. Voloshin, Yu. I. Naberukhin
Publikováno v:
Journal of Structural Chemistry. 64:208-215
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a0517ba9ca30b0d7d58c460990b0febe
https://doi.org/10.1134/s0022476623020051
https://doi.org/10.1134/s0022476623020051
Autor:
V. P. Voloshin, Yu. I. Naberukhin
Publikováno v:
Russian Journal of Physical Chemistry A. 96:1415-1418
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::73b8dfadffac4705e82195f16c41c415
https://doi.org/10.1134/s0036024422070342
https://doi.org/10.1134/s0036024422070342
Autor:
Yu Ya, Efimov, Yu I, Naberukhin
Publikováno v:
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy. 244
Vibrational spectra of liquid water contain a wealth of information about its structure and dynamics but there are no generally acknowledged interpretation of their band profiles, unfortunately. We have tried to calculate them taking into account onl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::b0c7330b49d8e331b8fd3fdfc6345584
https://pubmed.ncbi.nlm.nih.gov/32846302
https://pubmed.ncbi.nlm.nih.gov/32846302
Autor:
A. V. Anikeenko, Yu. I. Naberukhin
Publikováno v:
JETP Letters. 106:290-294
The correlation coefficients of displacements of pairs of neighboring particles located in spheres of a given radius have been studied within the molecular dynamics models of liquid argon including 50000 and 500000 atoms. Atoms separated by distances
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a5c3e555f562765115165d21d79dbaa2
https://doi.org/10.1134/s0021364017170064
https://doi.org/10.1134/s0021364017170064
Autor:
Yu. I. Naberukhin
Publikováno v:
Journal of Molecular Liquids. 239:45-48
The method for avoiding the termination errors proposed by Narten, Venkatesh, and Rice (J. Chem. Phys. 64, 1106 (1976)) is applied to analyze the old and new experimental x-ray diffraction data on water. The fine structure in the pair distribution fu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4430822812d2d3b859659d3845f6f4f7
https://doi.org/10.1016/j.molliq.2016.12.053
https://doi.org/10.1016/j.molliq.2016.12.053
Autor:
Yu. Ya. Efimov, Yu. I. Naberukhin
Publikováno v:
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 244:118772
Vibrational spectra of liquid water contain a wealth of information about its structure and dynamics but there are no generally acknowledged interpretation of their band profiles, unfortunately. We have tried to calculate them taking into account onl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f31e24b75f9a2428845fd4318bd28d56
https://doi.org/10.1016/j.saa.2020.118772
https://doi.org/10.1016/j.saa.2020.118772
Publikováno v:
Molecular Physics. 114:2824-2830
Analytical description of the spectra of two coupled vibrational modes in the case of the homogeneous broadening of the interacting bands is proposed. Inter alia, the intrinsic overtone's intensity is taken into account in the course of the analysis
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::de123187ad53b3cffdf8e0559173457c
https://doi.org/10.1080/00268976.2016.1194494
https://doi.org/10.1080/00268976.2016.1194494
Autor:
V. P. Voloshin, Yu. I. Naberukhin
Publikováno v:
Journal of Structural Chemistry. 57:497-506
The total lifetime distributions for hydrogen bonds in snapshots of molecular dynamics simulations of water serve as a basis to identify a class of proper hydrogen bonds. Proper bonds emerge and break up when restructuring the surrounding area of the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cc2bef4cee408f9ce82137d68d9c83e1
https://doi.org/10.1134/s0022476616030112
https://doi.org/10.1134/s0022476616030112
Publikováno v:
Doklady Physical Chemistry. 472:16-18
A method was proposed to visualize collective displacements of particles in diffusion motion in liquids. Using this method, in molecular dynamics models of liquid argon, groups of collectively moving atoms were detected, which had the shape of long c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::64e83d32644ad5c2c2ab8d7061811ddb
https://doi.org/10.1134/s0012501617010043
https://doi.org/10.1134/s0012501617010043
Publikováno v:
Journal of Structural Chemistry. 57:1660-1662
Visualization pictures of collective motion of particles are presented, showing the existence of mesoscopic (of the order of tens of angstroms) vortex-like motions at time intervals of at least hundreds of picoseconds in molecular dynamics models of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::57375d979122e8bb0875cb546e99f98e
https://doi.org/10.1134/s0022476616080229
https://doi.org/10.1134/s0022476616080229