Accurate structures and spectroscopic parameters of α,α-dialkylated α-amino acids in the gas-phase: a joint venture of DFT and wave-function composite methods-Reference-Cited by-同舟云学术

Accurate structures and spectroscopic parameters of α,α-dialkylated α-amino acids in the gas-phase: a joint venture of DFT and wave-function composite methods

Published:2023 Issue:34 Volume:25 Page:22768-22774
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Barone Vincenzo¹^ORCID

Affiliation:

1. Scuola Normale Superiore, Piazza dei Cavalieri 7, 56126 Pisa, Italy

Abstract

Accurate computations of structural, conformational and spectroscopic properties in the gas phase have been performed for two α,α-dialkylated α-amino acids, namely aminoisobutyric acid and cyclopropylglycine.

Funder

Agenzia Spaziale Italiana

Ministero dell'Università e della Ricerca

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP02503A

Reference77 articles.

1. Accurate structure, thermodynamic and spectroscopic parameters from CC and CC/DFT schemes: the challenge of the conformational equilibrium in glycine

2. E. R.Alonso , I.León and J. L.Alonso , Intra- and Intermolecular Interactions Between Non-Covalently Bonded Species , Elsevier , 2020 , pp.93–141