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pro vyhledávání: '"Daniil Itkis"'
Physical and numerical aspects of sodium ion solvation free energies via the cluster-continuum model
Publikováno v:
Physical Chemistry Chemical Physics. 24:29927-29939
Na+ solvation free energies are obtained in 8 solvents through the cluster-continuum approach. The Pearson correlation coefficient between the predicted and experimental data is 0.82, and the mean signed/unsigned errors are 0.3/1.4 kcal mol−1.
Autor:
Alina Inozemtseva, Alexey Rulev, Tatiana Zakharchenko, Valerii Isaev, Lada Yashina, Daniil Itkis
Publikováno v:
Comprehensive Inorganic Chemistry III ISBN: 9780128231531
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b642c974e69a21e56e4894e7fd6695f8
https://doi.org/10.1016/b978-0-12-823144-9.00055-8
https://doi.org/10.1016/b978-0-12-823144-9.00055-8
Publikováno v:
Physical chemistry chemical physics : PCCP. 24(48)
Sodium cation solvation Gibbs free energies (Δ
Autor:
Victor Krivchenko, Daniil Itkis, Stanislav Evlashin, Dmitry Semenenko, Eugene Goodilin, Alexander Rakhimov, Andrey Pilevsky
Publikováno v:
ECS Meeting Abstracts. :2415-2415
not Available.
Autor:
Pomerantseva, E. A., Daniil Itkis, Goodilin, E. A., Makarova, M. V., Lobanov, M. V., Olejnikov, N. N., Tret Yakov, Yu D.
Publikováno v:
Scopus-Elsevier
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::0b7fd675a1f482cb3032c3cf9ec0c782
http://www.scopus.com/inward/record.url?eid=2-s2.0-0037278931&partnerID=MN8TOARS
http://www.scopus.com/inward/record.url?eid=2-s2.0-0037278931&partnerID=MN8TOARS