A structural ab initio study of the T1 triplet state of acetaldehyde. The effects of electron correlation and additional functions in the basis set
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
Reference39 articles.
1. Periodic group relationships in the spectroscopy of the carbonyls, ketenes and nitriles: The effect of substitution by sulfur, selenium, and phosphorus
2. The Second Torsional State of Acetaldehyde
3. Effect of skeletal relaxation on the methyl torsion potential in acetaldehyde
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1. Theoretical Study of Photochemical Hydrogen Abstraction by Triplet Aliphatic Carbonyls by Using Density Functional Theory;The Journal of Physical Chemistry A;2013-01-07
2. A CASSCF theoretical study of the vibrational frequencies and structure of formaldehyde, acetaldehyde and acetone valence excited states;Journal of Molecular Structure: THEOCHEM;2005-03
3. The T1(nπ*)←S0 laser induced phosphorescence excitation spectrum of acetaldehyde in a supersonic free jet: Torsion and wagging potentials in the lowest triplet state;The Journal of Chemical Physics;1996-08-15
4. Getting the Shape of Methyl Internal Rotation Potential Surfaces Right;The Journal of Physical Chemistry;1996-01-01
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