Quantum treatment of protons with the reduced explicitly correlated Hartree-Fock approach
Author:
Affiliation:
1. Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Ave., Urbana, Illinois 61801, USA
Funder
National Science Foundation (NSF)
Air Force Office of Scientific Research (AFOSR)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4921303
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1. Hydrogen Tunneling in Enzyme Reactions
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5. Current Theoretical Challenges in Proton-Coupled Electron Transfer: Electron–Proton Nonadiabaticity, Proton Relays, and Ultrafast Dynamics
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