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
Reference27 articles.
1. 471. The electronic orbitals, shapes, and spectra of polyatomic molecules. Part VI. H2AB molecules
2. 184. The electronic spectrum of formaldehyde
3. The investigation of double-minimum potentials in molecules
4. Rotational constants and geometrical structure of the 1A2 and 3A2 states of H2CO and D2CO
5. The 3500 transition of formaldehyde-h2, d2, and hd
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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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