On the vibrations of formic acid predicted from first principles
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.
- This article is part of the themed collections: Benchmark Experiments for Numerical Quantum Chemistry, 2022 PCCP HOT Articles and PCCP Reviews