Structures and conformational dynamics of trans- and cis-crotonaldehydes in excited electronic states: A quantum-chemical study

Author:

Bokareva O.S.,Bataev V.A.,Godunov I.A.

Funder

Russian Foundation for Basic Research

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference41 articles.

1. Vibrational Spectra and Structure;Compton,1981

2. Conformational Analysis of Molecules in Excited Electronic States;Olivucci,2000

3. A theoretical investigation of valence and Rydberg electronic states of acrolein;Aquilante;J. Chem. Phys.,2003

4. On the conformational preferences of α, β-unsaturated carbonyl compounds. An ab initio study;García;J. Mol. Struct.: THEOCHEM,1996

5. Structure and dynamics of acrolein in lowest excited 1,3(n, π*) electronic states: the quantum-chemical study;Bokareva;Int. J. Quant. Chem.,2008

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