Application of reference-modified density functional theory Temperature and pressure dependences of solvation free energy

Application of reference-modified density functional theory : Temperature and pressure dependences of solvation free energy

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Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 39(2018), 4 vom: 05. Feb., Seite 202-217
1. Verfasser: Sumi, Tomonari (VerfasserIn)
Weitere Verfasser: Maruyama, Yutaka, Mitsutake, Ayori, Mochizuki, Kenji, Koga, Kenichiro
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2018
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Research Support, Non-U.S. Gov't 3D-RISM theory chignolin classical density functional theory high-pressure unfolding hydrophobic solute protein temperature and pressure dependences of solvation free energy thermal denaturation
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