A benchmark test suite for proton transfer energies and its use to test electronic structure model chemistries
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference80 articles.
1. Promoting Modes and Demoting Modes in Enzyme-Catalyzed Proton Transfer Reactions: A Study of Models and Realistic Systems
2. Kinetic Isotope Effects for Concerted Multiple Proton Transfer: A Direct Dynamics Study of an Active-Site Model of Carbonic Anhydrase II
3. Spectral Signatures of Hydrated Proton Vibrations in Water Clusters
4. Ultrafast Vibrational and Structural Dynamics of the Proton in Liquid Water
5. Effect of proton transfer on the electronic coupling in DNA
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