Zobrazeno 1 - 10
of 16
pro vyhledávání: '"D. V. Ivlev"'
Publikováno v:
Russian Journal of Physical Chemistry A. 96:685-690
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4d64955c8c62b67644f2d4557f7d1a4a
https://doi.org/10.1134/s0036024422040215
https://doi.org/10.1134/s0036024422040215
Autor:
N. N. Kalikin, Yu. A. Budkov, A. L. Kolesnikov, M. A. Krestyaninov, D. V. Ivlev, M. G. Kiselev
Publikováno v:
Russian Journal of Physical Chemistry B. 15:1166-1170
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3e9dce710d71d025d7f35c2372e4a399
https://doi.org/10.1134/s1990793121070071
https://doi.org/10.1134/s1990793121070071
Publikováno v:
Journal of Molecular Liquids. 276:801-805
A new method of solubility estimations, applied to sparingly dissolved compounds in supercritical carbon dioxide has been introduced in this paper. The method is based on determination of solubility contributions along the thermodynamic path consisti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f63c13e249d4cda41cd1af0c55cc2c79
https://doi.org/10.1016/j.molliq.2018.12.021
https://doi.org/10.1016/j.molliq.2018.12.021
An experimental approach in conducting NMR measurements at supercritical parameters of state is discussed. A novel design of the high-pressure NMR cell was developed which allowed eliminating the field inhomogeneity and, thus, increasing the sensitiv
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9c07d97d39ed8246b9fd8681aef2fba1
http://arxiv.org/abs/2003.09630
http://arxiv.org/abs/2003.09630
Autor:
Andrei L. Kolesnikov, M. A. Krest’yaninov, N. N. Kalikin, Yu. A. Budkov, D. V. Ivlev, Michael G. Kiselev
Publikováno v:
Fluid Phase Equilibria. :113096
Despite the modern level of development of computational chemistry methods and technological progress, fast and accurate determination of solvation free energy remains a huge problem for physical chemists. In this paper, we describe two computational
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7ac73808ca9c43c544ef58b583793fbd
https://doi.org/10.1016/j.fluid.2021.113096
https://doi.org/10.1016/j.fluid.2021.113096
Publikováno v:
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy. 230
In this work we demonstrate a self-consistent effective technique of analyzing the conformational equilibria of active pharmaceutical ingredient (API) molecules dissolved in supercritical carbon dioxide in a wide range of thermodynamic parameters of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::ae02c5e29c8e862094e25afee7d5d872
https://pubmed.ncbi.nlm.nih.gov/31978693
https://pubmed.ncbi.nlm.nih.gov/31978693
Publikováno v:
Russian Journal of Physical Chemistry B. 10:1153-1162
A study of conformational equilibria of ibuprofen in vacuum and supercritical carbon dioxide (SC CO2) was carried out using methods of quantum chemistry and molecular dynamics simulation. It was found that ibuprofen forms 12 different conformations i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::805e536b7b18b703c0ee6825fbdd8a05
https://doi.org/10.1134/s199079311607006x
https://doi.org/10.1134/s199079311607006x
Publikováno v:
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 230:118072
In this work we demonstrate a self-consistent effective technique of analyzing the conformational equilibria of active pharmaceutical ingredient (API) molecules dissolved in supercritical carbon dioxide in a wide range of thermodynamic parameters of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1722ab6309737b33afae84cb0b782124
https://doi.org/10.1016/j.saa.2020.118072
https://doi.org/10.1016/j.saa.2020.118072
Publikováno v:
Journal of Molecular Liquids
Journal of Molecular Liquids, 2017, 239, pp.49-60. ⟨10.1016/j.molliq.2016.10.132⟩
Journal of Molecular Liquids, Elsevier, 2017, 239, pp.49-60. ⟨10.1016/j.molliq.2016.10.132⟩
Journal of Molecular Liquids, 2017, 239, pp.49-60. ⟨10.1016/j.molliq.2016.10.132⟩
Journal of Molecular Liquids, Elsevier, 2017, 239, pp.49-60. ⟨10.1016/j.molliq.2016.10.132⟩
International audience; The populations of conformers of ibuprofen in supercritical CO2 have been calculated for two isochors in the temperature range of 35–90 °C, using the combination of data of IR spectroscopy, quantum chemical calculations and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::80521b525b3f1e39c2374493522b8cb4
https://hal.science/hal-01579766
https://hal.science/hal-01579766
Autor:
D. V. Ivlev, Michael G. Kiselev
Publikováno v:
Russian Journal of Physical Chemistry A. 86:974-978
A molecular dynamic investigation of self-diffusion coefficients of helium and water in aqueous NaCl solution is performed. To understand the nonlinear behavior of the self-diffusion coefficients, a number of structural characteristics (radial distri
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::59e0c5195160099975b6bb159fcdd6cf
https://doi.org/10.1134/s003602441206012x
https://doi.org/10.1134/s003602441206012x