Benchmark ab initio proton affinity of glycine
Author:
Affiliation:
1. MTA-SZTE Lendület Computational Reaction Dynamics Research Group
2. Interdisciplinary Excellence Centre and Department of Physical Chemistry and Materials Science
3. Institute of Chemistry
4. University of Szeged
5. Szeged H-6720
Abstract
A comprehensive conformational search and high-level composite ab initio computations provide benchmark proton affinities and gas-phase basicities for glycine.
Funder
Nemzeti Kutatási Fejlesztési és Innovációs Hivatal
Emberi Eroforrások Minisztériuma
Magyar Tudományos Akadémia
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP00376C
Reference52 articles.
1. Influence of Peptide Composition, Gas-Phase Basicity, and Chemical Modification on Fragmentation Efficiency: Evidence for the Mobile Proton Model
2. Fragmentation pathways of protonated peptides
3. The unimolecular chemistry of protonated glycine and the proton affinity of glycine: a computational model
4. Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update
5. Protonation Thermochemistry of α-Amino Acids Bearing a Basic Residue
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