Anharmonic Densities of States for Vibrationally Excited I–(H2O), (H2O)2, and I–(H2O)2
Author:
Affiliation:
1. Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409, United States
2. Sterling Chemistry Laboratory, Department of Chemistry, Yale University, New Haven, Connecticut 06520, United States
Funder
Welch Foundation
U.S. Department of Defense
National Science Foundation
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00300
Reference69 articles.
1. Toward Chemical Accuracy in the Description of Ion–Water Interactions through Many-Body Representations. I. Halide–Water Dimer Potential Energy Surfaces
2. i-TTM Model for Ab Initio-Based Ion–Water Interaction Potentials. 1. Halide–Water Potential Energy Functions
3. Vibrational spectra of halide-water dimers: Insights on ion hydration from full-dimensional quantum calculations on many-body potential energy surfaces
4. Computational Investigation of the First Solvation Shell Structure of Interfacial and Bulk Aqueous Chloride and Iodide Ions
5. Universal scaling of potential energy functions describing intermolecular interactions. II. The halide-water and alkali metal-water interactions
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