Computationally assisted vibrational spectroscopy of nucleic acid bases. 2. Thymine.
Clusters
DFT
Deuteration
Explicit solvation
Hydrogen bonding
Infrared and Raman spectra
Liquid
Journal
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
ISSN: 1873-3557
Titre abrégé: Spectrochim Acta A Mol Biomol Spectrosc
Pays: England
ID NLM: 9602533
Informations de publication
Date de publication:
04 Jan 2024
04 Jan 2024
Historique:
received:
16
09
2023
revised:
26
12
2023
accepted:
31
12
2023
medline:
9
1
2024
pubmed:
9
1
2024
entrez:
8
1
2024
Statut:
aheadofprint
Résumé
As in the case of cytosine [Phys. Chem. Chem. Phys. 2023, 25, 24121-24128], Raman and infrared (IR) spectra of aqueous thymine and its N-deuterated derivative, thymine-d
Identifiants
pubmed: 38190776
pii: S1386-1425(23)01517-2
doi: 10.1016/j.saa.2023.123832
pii:
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
123832Informations de copyright
Copyright © 2024 Elsevier B.V. All rights reserved.
Déclaration de conflit d'intérêts
Declaration of competing interest The authors declare the following financial interests/personal relationships which may be considered as potential competing interests: Sergey Katsyuba reports financial support was provided by Russian Science Foundation. Sergey Katsyuba reports a relationship with Russsian Science Foundation that includes: funding grants. If there are other authors, they declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.