Quantum/Classical Investigation of Amide Protonation in Aqueous Solution
Author:
Affiliation:
1. Physikalische Chemie I, Technische Universität Darmstadt, Petersenstraβe 20, D-64287 Darmstadt, Germany
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp012830k
Reference32 articles.
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2. Experimental and ab initio studies of the gas-phase basicities of polyglycines
3. Ab-initio calculations on the protonation of simple amides by H3O+. Effects of discrete hydration and solvent cavity
4. Molecular dynamics simulation study of a hydronium ion in liquid water with implementation of the proton transfer by means of a hopping mechanism
5. Molecular dynamics simulation of the proton transport in water
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