Solvation free energy of solvation of biomass model cellobiose molecule: A molecular dynamics analysis

Autor: Vyalov, I., Vaksler, Y., Koverga, V., Miannay, F.A., Kiselev, M., Idrissi, A.

Publikováno v: In Journal of Molecular Liquids November 2017 245:97-102

Interfacial solvation-structure regulation for stable Li metal anode by a desolvation coating technique.

Autor: Li GX; Department of Mechanical Engineering, The Pennsylvania State University, University Park, PA 16802., Lennartz P; Forschungszentrum Jülich, Helmholtz Institute Münster, Münster 48149, Germany., Koverga V; Department of Chemical Engineering, University of Illinois Chicago, Chicago, IL 60608.; Materials Science Division, Argonne National Laboratory, Lemont, IL 60439., Kou R; Department of Mechanical Engineering, The Pennsylvania State University, University Park, PA 16802., Nguyen A; Department of Materials Science and Engineering, The Pennsylvania State University, University Park, PA 16802., Jiang H; Department of Mechanical Engineering, The Pennsylvania State University, University Park, PA 16802., Liao M; Department of Mechanical Engineering, The Pennsylvania State University, University Park, PA 16802., Wang D; Department of Mechanical Engineering, The Pennsylvania State University, University Park, PA 16802., Dandu N; Department of Chemical Engineering, University of Illinois Chicago, Chicago, IL 60608.; Materials Science Division, Argonne National Laboratory, Lemont, IL 60439., Zepeda M; Department of Chemical Engineering, University of Illinois Chicago, Chicago, IL 60608., Wang H; Materials Research Institute, The Pennsylvania State University, University Park, PA 16802., Wang K; Materials Research Institute, The Pennsylvania State University, University Park, PA 16802., Ngo AT; Department of Chemical Engineering, University of Illinois Chicago, Chicago, IL 60608.; Materials Science Division, Argonne National Laboratory, Lemont, IL 60439., Brunklaus G; Forschungszentrum Jülich, Helmholtz Institute Münster, Münster 48149, Germany., Wang D; Department of Mechanical Engineering, The Pennsylvania State University, University Park, PA 16802.

Publikováno v: Proceedings of the National Academy of Sciences of the United States of America [Proc Natl Acad Sci U S A] 2024 Jan 23; Vol. 121 (4), pp. e2311732121. Date of Electronic Publication: 2024 Jan 17.

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Local Structure of DMF-Water Mixtures, as Seen from Computer Simulations and Voronoi Analysis.

Autor: Koverga V; University of Lille, CNRS UMR 8516 - LASIRe─Laboratoire Avancé de Spectroscopie pour les Interactions la Réactivité et l'environnement, 59000 Lille, France., Juhász Á; University of Lille, CNRS UMR 8516 - LASIRe─Laboratoire Avancé de Spectroscopie pour les Interactions la Réactivité et l'environnement, 59000 Lille, France.; Department of Biophysics Radiation Biology, Laboratory of Nanochemistry, Semmelweis University, Nagyvárad tér 4, 1089 Budapest, Hungary., Dudariev D; University of Lille, CNRS UMR 8516 - LASIRe─Laboratoire Avancé de Spectroscopie pour les Interactions la Réactivité et l'environnement, 59000 Lille, France.; Department of Inorganic Chemistry, V.N. Karazin Kharkiv National University, Svoboda sq. 4, 61022 Kharkiv, Ukraine., Lebedev M; University of Lille, CNRS UMR 8516 - LASIRe─Laboratoire Avancé de Spectroscopie pour les Interactions la Réactivité et l'environnement, 59000 Lille, France.; Department of Inorganic Chemistry, Laboratory of Luminescent Molecular Devices, Ivanovo State University of Chemistry and Technology, Sheremetievskiy Avenue 7, Ivanovo 153000, Russia., Idrissi A; University of Lille, CNRS UMR 8516 - LASIRe─Laboratoire Avancé de Spectroscopie pour les Interactions la Réactivité et l'environnement, 59000 Lille, France., Jedlovszky P; Department of Chemistry, Eszterházy Károly University, Leányka u. 6, 3300 Eger, Hungary.

Publikováno v: The journal of physical chemistry. B [J Phys Chem B] 2022 Sep 15; Vol. 126 (36), pp. 6964-6978. Date of Electronic Publication: 2022 Aug 31.