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pro vyhledávání: '"Samuel Blazquez Fernandez"'
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
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14 pags., 12 figs., 8 tabs. -- Dedicate this paper to the memory of C. Austen Angell
In this work, we studied the effect of Li+, Na+, K+, Mg2+, and Ca2+ chlorides and sulfates on the temperature of maximum density (TMD) of aqueous solutions at r
In this work, we studied the effect of Li+, Na+, K+, Mg2+, and Ca2+ chlorides and sulfates on the temperature of maximum density (TMD) of aqueous solutions at r
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::90afa51719a249bf3a80f5f82e707449
http://hdl.handle.net/10261/269893
http://hdl.handle.net/10261/269893
Publikováno v:
The Journal of Chemical Physics. 158:054505
In this work, we discuss the use of scaled charges when developing force fields for NaCl in water. We shall develop force fields for Na+ and Cl− using the following values for the scaled charge (in electron units): ±0.75, ±0.80, ±0.85, and ±0.9
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::680d686aa0b9e2006d785b22017b7cbe
https://doi.org/10.1063/5.0136498
https://doi.org/10.1063/5.0136498
Autor:
Carlos Vega, Samuel Blazquez Fernandez
Publikováno v:
The Journal of Chemical Physics. 156:216101
By using the direct coexistence method, we have calculated the melting points of ice I h at normal pressure for three recently proposed water models, namely, TIP3P-FB, TIP4P-FB, and TIP4P-D. We obtained T m = 216 K for TIP3P-FB, T m = 242 K for TIP4P
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::650be8c9a65e3fe9ede30a3a013ea339
https://doi.org/10.1063/5.0093815
https://doi.org/10.1063/5.0093815
Publikováno v:
The Journal of Chemical Physics. 156:044505
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1de1eb729b2e6aa10b311e8eefed7705
https://doi.org/10.1063/5.0077716
https://doi.org/10.1063/5.0077716