Accurate Structures and Spectroscopic Parameters of Phenylalanine and Tyrosine in the Gas Phase: A Joint Venture of DFT and Composite Wave-Function Methods-Reference-Cited by-同舟云学术

Accurate Structures and Spectroscopic Parameters of Phenylalanine and Tyrosine in the Gas Phase: A Joint Venture of DFT and Composite Wave-Function Methods

Published:2023-04-13 Issue:16 Volume:127 Page:3648-3657
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Barone Vincenzo¹^ORCID,Fusè Marco²^ORCID

Affiliation:

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

2. DMMT-sede Europa, Università di Brescia, Viale Europa 11, 25121 Brescia, Italy

Funder

Ministero dell'Universit? e della Ricerca

Agenzia Spaziale Italiana

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.3c01174

Reference103 articles.

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

2. The crystal structure ofL-alanine

3. Vibrational circular dichroism in amino acids and peptides. 6. Localized molecular orbital calculations of the carbon-hydrogen stretching vibrational circular dichroism in deuterated isotopomers of alanine

4. The missing conformers of glycine and alanine: relaxation in seeded supersonic jets

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