Structure and dynamics of acrolein in 1,3(π,π*) excited electronic states: A quantum-chemical study
Author:
Publisher
Elsevier BV
Subject
Spectroscopy,Instrumentation,Atomic and Molecular Physics, and Optics,Analytical Chemistry
Reference45 articles.
1. Vibrational Spectra and Structure;Compton,1981
2. A theoretical investigation of valence and Rydberg electronic states of acrolein
3. Conformational Analysis of Molecules in Excited Electronic States;Olivucci,2000
4. The absorption spectra of acrolein, crotonaldehyde and mesityl oxide in the vacuum ultra-violet
5. Near ultra-violet spectra of thes-transand a second rotamer of acrolein vapour
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2. Structures and conformational dynamics of trans- and cis-crotonaldehydes in excited electronic states: A quantum-chemical study;Computational and Theoretical Chemistry;2019-02
3. Uncertainty estimates for theoretical atomic and molecular data;Journal of Physics D: Applied Physics;2016-08-17
4. Lowest triplet (n, π*) electronic state of acrolein: Determination of structural parameters by cavity ringdown spectroscopy and quantum-chemical methods;The Journal of Chemical Physics;2013-02-14
5. Approximate Inclusion of Triple Excitations in Combined Coupled Cluster/Molecular Mechanics: Calculations of Electronic Excitation Energies in Solution for Acrolein, Water, Formamide, and N-Methylacetamide;Journal of Chemical Theory and Computation;2010-02-01
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