Electronic structure of aqueous solutions: Bridging the gap between theory and experiments-Reference-Cited by-同舟云学术

Electronic structure of aqueous solutions: Bridging the gap between theory and experiments

Author:

Pham Tuan Anh¹,Govoni Marco²³,Seidel Robert⁴,Bradforth Stephen E.⁴,Schwegler Eric¹^ORCID,Galli Giulia²³

Affiliation:

1. Quantum Simulations Group, Lawrence Livermore National Laboratory, Livermore, CA 94550, USA.

2. Institute for Molecular Engineering, University of Chicago, Chicago, IL 60637, USA.

3. Materials Science Division, Argonne National Laboratory, Lemont, IL 60439, USA.

4. Department of Chemistry, University of Southern California, Los Angeles, CA 90089-0482, USA.

Abstract

A predictive and efficient computational framework for describing the electronic properties of aqueous solutions is presented.

Funder

U.S. Department of Energy

National Science Foundation

Deutsche Forschungsgemeinschaft

Lawrence Livermore National Laboratory

Publisher

American Association for the Advancement of Science (AAAS)

Subject

Multidisciplinary

Reference71 articles.

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