Zobrazeno 1 - 10
of 114
pro vyhledávání: '"Yu. Ya. Efimov"'
Autor:
Yu. Ya. Efimov
Publikováno v:
Journal of Structural Chemistry. 62:1732-1739
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::61fc10219c32d12beb00d2bb897091d5
https://doi.org/10.1134/s0022476621110093
https://doi.org/10.1134/s0022476621110093
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:
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:
Yu. Ya. Efimov, Yu. I. Naberukhin
Publikováno v:
Molecular Physics. 113:782-789
A general case of interaction between two oscillators of statistically distributed frequencies has been studied. The interaction between fundamental and overtone vibrations (Fermi resonance) can be a special case. The feasible, non-zero original inte
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5f90a06f0b78b048d016d8ef6991bd59
https://doi.org/10.1080/00268976.2014.976600
https://doi.org/10.1080/00268976.2014.976600
Autor:
Yu. Ya. Efimov
Publikováno v:
Journal of Structural Chemistry. 51:482-490
The ability of water molecules to form a three-dimensional network of hydrogen bonds basically determines both the intrinsic structure and unique properties of this liquid and also a character of interactions with other molecules. However, the depend
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fc591a502909b7b2a14aceb0b88c3bce
https://doi.org/10.1007/s10947-010-0070-7
https://doi.org/10.1007/s10947-010-0070-7
Autor:
Yu. Ya. Efimov
Publikováno v:
Journal of Structural Chemistry. 50:702-711
A principle to design the multi-parameter potentials of hydrogen bonding is proposed and developed. Based on fluctuation theory, they provide the description of temperature evolution of the shape of OH vibrational spectra of liquid water molecules. A
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ae9968d9f4892adbeefc2f4112e3bb55
https://doi.org/10.1007/s10947-009-0108-x
https://doi.org/10.1007/s10947-009-0108-x
Autor:
Yu. Ya. Efimov
Publikováno v:
Journal of Structural Chemistry. 49:261-269
UDC 532.74 The approach suggested in this work within the fluctuation theory of the hydrogen bond allows one to correlate the vibrational band shape with the statistical distribution of the geometrical parameters of theH - �G...�H hydrogen bridge
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cda78776126d3cb7d7c21e632914b9fe
https://doi.org/10.1007/s10947-008-0122-4
https://doi.org/10.1007/s10947-008-0122-4
Autor:
Yu. I. Naberukhin, Yu. Ya. Efimov
Publikováno v:
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 61:1789-1794
Configurational contributions of hydrogen bonds to thermodynamic properties of water (internal energy, entropy, and heat capacity) are calculated on the basis of statistical distributions of frequencies of the OH vibrations of liquid water, calculate
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::78d490a6ffbf87e4609a9d3b593762b1
https://doi.org/10.1016/j.saa.2004.07.016
https://doi.org/10.1016/j.saa.2004.07.016
Autor:
Yu. I. Naberukhin, Yu. Ya. Efimov
Publikováno v:
Molecular Physics. 102:1407-1414
The infrared spectra of HOD molecules in liquid water are calculated at constant density over the temperature range of 10 to 400°C from the statistical distributions of the vibration frequencies of water OH-groups determined previously from the expe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b9115d9fc25585d28a3b22f5b4898f43
https://doi.org/10.1080/00268970410001703372
https://doi.org/10.1080/00268970410001703372