Large Amplitude Motions of Pyruvic Acid (CH<sub>3</sub>-CO-COOH)

Torsional and rotational spectroscopic properties of pyruvic acid are determined using highly correlated ab initio methods and combining two different theoretical approaches: Second order perturbation theory and a variational procedure in three-dimensions. Four equilibrium geometries of pyruvic acid...

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Bibliographic Details
Main Authors: María Luisa Senent, Samira Dalbouha
Format: Article
Language:English
Published: MDPI AG 2021-07-01
Series:Molecules
Subjects:
LAM
VOC
Online Access:https://www.mdpi.com/1420-3049/26/14/4269