Barrier height to inversion of aliphatic carbonyl compounds in the S1(n,π*) state; ab initio study of formaldehyde
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
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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. Molecular dynamics in low-spin excited states;The Journal of Chemical Physics;1998-03-08
4. The Spectroscopy of Formaldehyde;Journal of Molecular Spectroscopy;1996-04
5. An Application of the Half-projected Hartree-Fock Model to the Direct Determination of the Lowest Singlet and Triplet Excited States of Molecular Systems;Strategies and Applications in Quantum Chemistry;1996
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