Structure and dynamics of conformationally non-rigid molecules in excited electronic states: Ab initio calculations of the R2CO (R=H, F, Cl)
Author:
Publisher
Elsevier BV
Subject
Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry
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3. 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
4. Quantum–chemical study of the structure of the acetyl fluoride molecule in the ground and lowest excited singlet and triplet electronic states;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2004-07
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