On the vibrations of formic acid predicted from first principles.
Phys Chem Chem Phys
; 24(46): 28109-28120, 2022 Nov 30.
Article
in En
| MEDLINE
| ID: mdl-36385362
ABSTRACT
In this article, we review recent first principles, anharmonic studies on the molecular vibrations of gaseous formic acid in its monomer form. Transitions identified as fundamentals for both cis- and trans form reported in these studies are collected and supported by results from high-resolution experiments. Attention is given to the effect of coordinate coupling on the convergence of the computed vibrational states.
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Main subject:
Vibration
/
Formates
Type of study:
Prognostic_studies
/
Risk_factors_studies
Language:
En
Journal:
Phys Chem Chem Phys
Journal subject:
BIOFISICA
/
QUIMICA
Year:
2022
Document type:
Article
Affiliation country:
Switzerland