Generalized molecular solvation in non-aqueous solutions by a single parameter implicit solvation scheme-Reference-Cited by-同舟云学术

Generalized molecular solvation in non-aqueous solutions by a single parameter implicit solvation scheme

Published:2019-01-28 Issue:4 Volume:150 Page:041710
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Hille Christoph¹,Ringe Stefan²,Deimel Martin¹^ORCID,Kunkel Christian¹,Acree William E.³^ORCID,Reuter Karsten¹^ORCID,Oberhofer Harald¹^ORCID

Affiliation:

1. Chair for Theoretical Chemistry and Catalysis Research Center, Technische Universität München, Lichtenbergstr. 4, 85747 Garching, Germany

2. SUNCAT Center for Interface Science and Catalysis, Department of Chemical Engineering, Stanford University, Stanford, California 94305, USA

3. Department of Chemistry, University of North Texas, 1155 Union Circle Drive #305070, Denton, Texas 76203, USA

Funder

Deutsche Forschungsgemeinschaft

Solar Technologies go Hybrid

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5050938

Reference163 articles.

1. An ab initio study of surface electrochemical disproportionation: The case of a water monolayer adsorbed on a Pd(111) surface

2. Influence of Adsorbed Water on the Oxygen Evolution Reaction on Oxides

3. pH in Grand Canonical Statistics of an Electrochemical Interface

4. H. Oberhofer, in Handbook of Materials Modeling: Applications: Current and Emerging Materials, edited by W. Andreoni and S. Yip (Springer International Publishing, Cham, 2018), pp. 1–33.

5. Quantum Mechanical Continuum Solvation Models

Cited by 38 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Solvation Enthalpies and Free Energies for Organic Solvents through a Dense Neural Network: A Generalized-Born Approach;Liquids;2024-08-12

2. Communication—First-Principles Simulations of LiPF₆ Decomposition in Ethylene Carbonate-Based Electrolytes;Journal of The Electrochemical Society;2024-08-01

3. AI for organic and polymer synthesis;Science China Chemistry;2024-06-26

4. Experimental and molecular insights on the regulatory effects of solvent on CaC₂ reaction activity;AIChE Journal;2024-06-20

5. Revealing Interface Polarization Effects on the Electrical Double Layer with Efficient Open Boundary Simulations under Potential Control;The Journal of Physical Chemistry Letters;2024-04-29