Solvation Structure, Dynamics, and Charge Transfer Kinetics of Cu

Anions / chemistry Choline / chemistry Ethylene Glycol / chemistry Kinetics Molecular Dynamics Simulation

Journal

The journal of physical chemistry. B
ISSN: 1520-5207
Titre abrégé: J Phys Chem B
Pays: United States
ID NLM: 101157530

Informations de publication

Date de publication:
01 09 2022
Historique:
pubmed: 18 8 2022
medline: 9 9 2022
entrez: 17 8 2022
Statut: ppublish

Résumé

Experimental measurements and classical molecular dynamics (MD) simulations were carried out to study electrolytes containing CuCl

Identifiants

DOI: 10.1021/acs.jpcb.2c04798 PMID: 35976689
pubmed: 35976689
doi: 10.1021/acs.jpcb.2c04798
doi:

Substances chimiques

Anions 0
Ethylene Glycol FC72KVT52F
Choline N91BDP6H0X

Types de publication

Journal Article Research Support, U.S. Gov't, Non-P.H.S.

Langues

eng

Sous-ensembles de citation

IM

Pagination

6493-6499

Auteurs

Yong Zhang (Y)

Department of Chemical and Biomolecular Engineering, University of Notre Dame, Notre Dame, Indiana 46556, United States.
ORCID: 0000-0003-3988-5961

Jeffrey M Klein (JM)

Department of Chemical and Biomolecular Engineering, Case Western Reserve University, Cleveland, Ohio 44106, United States.
ORCID: 0000-0002-3223-4376

Rohan Akolkar (R)

Department of Chemical and Biomolecular Engineering, Case Western Reserve University, Cleveland, Ohio 44106, United States.

Burcu E Gurkan (BE)

Department of Chemical and Biomolecular Engineering, Case Western Reserve University, Cleveland, Ohio 44106, United States.
ORCID: 0000-0003-4886-3350

Edward J Maginn (EJ)

Department of Chemical and Biomolecular Engineering, University of Notre Dame, Notre Dame, Indiana 46556, United States.
ORCID: 0000-0002-6309-1347

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Classifications MeSH

questionsmedicales.fr › Produits chimiques inorganiques › Électrolytes › Ions › Anions › Solvation Structure, Dynamics, and Charge...
questionsmedicales.fr › Composés chimiques organiques › Composés onium › Composés d'ammonium quaternaire › Choline › Solvation Structure, Dynamics, and Charge...
questionsmedicales.fr › Composés chimiques organiques › Alcools › Glycols › Éthylène glycols › Éthylène glycol › Solvation Structure, Dynamics, and Charge...
questionsmedicales.fr › Phénomènes chimiques › Phénomènes biochimiques › Cinétique › Solvation Structure, Dynamics, and Charge...
questionsmedicales.fr › Sciences de l'information › Méthodologies informatiques › Simulation numérique › Simulation de dynamique moléculaire › Solvation Structure, Dynamics, and Charge...