Efficient and Adaptive Methods for Computing Accurate Potential Surfaces for Quantum Nuclear Effects: Applications to Hydrogen-Transfer Reactions
Author:
Affiliation:
1. Department of Chemistry and Department of Physics, Indiana University, 800 E. Kirkwood Avenue, Bloomington, Indiana 47405, United States
Funder
Division of Chemistry
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b00927
Reference155 articles.
1. Hydrogen‐Transfer Reactions
2. Molecular Dynamics Simulation of Hydrochloric Acid Ionization at the Surface of Stratospheric Ice
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4. Radical−Water Complexes in Earth's Atmosphere
5. Dynamical effects on vibrational and electronic spectra of hydroperoxyl radical water clusters
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