Accurate Structures and Spectroscopic Parameters of Guanine Tautomers in the Gas Phase by the Pisa Conventional and Explicitly Correlated Composite Schemes (PCS and PCS-F12)-Reference-Cited by-同舟云学术

Accurate Structures and Spectroscopic Parameters of Guanine Tautomers in the Gas Phase by the Pisa Conventional and Explicitly Correlated Composite Schemes (PCS and PCS-F12)

Published:2023-08-03 Issue:32 Volume:127 Page:6771-6778
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Barone Vincenzo¹^ORCID,Di Grande Silvia¹²^ORCID,Lazzari Federico¹^ORCID,Mendolicchio Marco¹^ORCID

Affiliation:

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

2. Scuola Superiore Meridionale, Largo San Marcellino 10, Napoli 80138, Italy

Funder

Ministero dell'Università 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.3c03999

Reference65 articles.

1. Benchmark Structures and Conformational Landscapes of Amino Acids in the Gas Phase: A Joint Venture of Machine Learning, Quantum Chemistry, and Rotational Spectroscopy

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

3. Importance of Entropy in the Conformational Equilibrium of Phenylalanine: A Matrix-Isolation Infrared Spectroscopy and Density Functional Theory Study

4. Thermochemistry of Uracil, Thymine, Cytosine, and Adenine

5. DFT Meets Wave-Function Composite Methods for Characterizing Cytosine Tautomers in the Gas Phase

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