Ab initio studies of structural features not easily amenable to experiment
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference41 articles.
1. Molecular structure and rotational isomerism in glyoxylicacid from microwave spectroscopy and ab initio calculations
2. Microwave spectra of isotopic glyoxylic acids, structure and intramolecular hydrogen bond
3. The substitution structure, barrier to internal rotation, and low frequency vibrations of pyruvic acid
4. Microwave spectrum, conformation, barrier to internal rotation and dipole moment of pyruvic acid
5. The conformation and dipole moment of propiolic acid deduced from its microwave spectrum
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1. A DFT Study of the Hydrogen Bonded Structures of Pyruvic Acid–Water Complexes;Frontiers in Physics;2022-05-31
2. Hydration of the simplest α-keto acid: a rotational spectroscopic and ab initio study of the pyruvic acid–water complex;Physical Chemistry Chemical Physics;2017
3. Isolated glyoxylic acid–water 1:1 complexes in low temperature argon matrices;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2015-02
4. Conformational Switching in Pyruvic Acid Isolated in Ar and N2 Matrixes: Spectroscopic Analysis, Anharmonic Simulation, and Tunneling;The Journal of Physical Chemistry A;2014-11-03
5. Light-Induced Opening and Closing of the Intramolecular Hydrogen Bond in Glyoxylic Acid;The Journal of Physical Chemistry A;2013-12-30
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