Zobrazeno 1 - 10
of 97
pro vyhledávání: '"RISM theory"'
Publikováno v:
J, Vol 4, Iss 4, Pp 698-726 (2021)
Water in the supercritical region of the phase diagram exhibits a markedly different structure and properties from that at ambient conditions, which is useful in controlling chemical reactions. Nonetheless, the experimental, as well as theoretical, c
Externí odkaz:
https://doaj.org/article/2a97eaa4408642178c97f5e4a9570414
Publikováno v:
J, Vol 4, Iss 49, Pp 698-726 (2021)
Water in the supercritical region of the phase diagram exhibits a markedly different structure and properties from that at ambient conditions, which is useful in controlling chemical reactions. Nonetheless, the experimental, as well as theoretical, c
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3b3b2f1cf8c13e340468062c8935838b
https://www.mdpi.com/2571-8800/4/4/49
https://www.mdpi.com/2571-8800/4/4/49
Akademický článek
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Akademický článek
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Autor:
T.Miyata
Publikováno v:
Condensed Matter Physics, Vol 10, Iss 3, p 433 (2007)
The anomeric equilibrium of D-glucose in aqueous solution was studied by the extended reference interaction site model (XRISM) theory. In this study, all of the rotational degrees of freedom were considered upon the exocyclic hydroxyl and hydroxymeth
Externí odkaz:
https://doaj.org/article/d4bb893110434481b850bdbb654af88a
Autor:
T.Imai
Publikováno v:
Condensed Matter Physics, Vol 10, Iss 3, p 343 (2007)
The paial molar volume (PMV) is a thermodynamic quantity which contains important information about the solute-solvent interactions as well as the solute structure in solution.Additionally, the PMV is the most essential quantity in the analysis of th
Externí odkaz:
https://doaj.org/article/c54be362bd304bbe83fc44cf37b7f2c5
Publikováno v:
Journal of physics. Condensed matter : an Institute of Physics journal. 28(41)
Inspired by significant improvements obtained for the performances of the polymer reference interaction site model (PRISM) theory of the fluid phase when coupled with 'molecular closures' (Schweizer and Yethiraj 1993 J. Chem. Phys. 98 9053), we explo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::674e91992cf25c69c415ad3f5b1d9804
https://pubmed.ncbi.nlm.nih.gov/27548461
https://pubmed.ncbi.nlm.nih.gov/27548461
Autor:
Miyata
Publikováno v:
Condensed Matter Physics, Vol 10, Iss 3, p 433 (2007)
The anomeric equilibrium of D-glucose in aqueous solution was studied by the extended reference interaction site model (XRISM) theory. In this study, all of the rotational degrees of freedom were considered upon the exocyclic hydroxyl and hydroxymeth
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8ab0071631f9b79e1a56cf830ae8d4c8
https://doaj.org/article/d4bb893110434481b850bdbb654af88a
https://doaj.org/article/d4bb893110434481b850bdbb654af88a
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
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Publikováno v:
Proteins: Structure, Function, and Bioinformatics
Proteins Struct.Funct.Genet.
Proteins Struct.Funct.Genet.
A theoretical analysis is made of the decomposition into contributions from individual interactions of the free energy calculated by thermodynamic integration. It is demonstrated that such a decomposition, often referred to as “component analysis,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::517519c34001cda7f6804814a9bff8fb
http://gnosis.library.ucy.ac.cy/handle/7/58553
http://gnosis.library.ucy.ac.cy/handle/7/58553
