Issue 46, 2022

On the vibrations of formic acid predicted from first principles

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.

Graphical abstract: On the vibrations of formic acid predicted from first principles

Article information

Article type
Review Article
Submitted
22 9 2022
Accepted
09 11 2022
First published
17 11 2022
This article is Open Access
Creative Commons BY-NC license

Phys. Chem. Chem. Phys., 2022,24, 28109-28120

On the vibrations of formic acid predicted from first principles

A. K. Kelemen and S. Luber, Phys. Chem. Chem. Phys., 2022, 24, 28109 DOI: 10.1039/D2CP04417J

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