Title of article :
Isomerization Through Conical Intersections
Author/Authors :
Levine، Benjamin G. نويسنده , , Martinez، Todd J. نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2007
Pages :
22
From page :
613
To page :
634
Abstract :
The standard model for photoinduced cis-trans isomerization about carbon double bonds is framed in terms of two electronic states and a one-dimensional reaction coordinate.We review recent work that suggests that a minimal picture of the reaction mechanism requires the consideration of at least two molecular coordinates and three electronic states. In this chapter, we emphasize the role of conical intersections and charge transfer in the photoisomerization mechanism.
Keywords :
first-principles molecular dynamics , photoinduced isomerization , ab initio molecular dynamics , photochemistry , nonadiabatic dynamics , Femtosecond
Journal title :
Annual Review of Physical Chemistry
Serial Year :
2007
Journal title :
Annual Review of Physical Chemistry
Record number :
121325
Link To Document :
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