Photoisomerization and Photocyclization of 5-Styryloxazole
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چکیده
منابع مشابه
Dynamics simulations with spin-flip time-dependent density functional theory: photoisomerization and photocyclization mechanisms of cis-stilbene in ππ* states.
On-the-fly dynamics simulations were carried out using spin-flip time dependent density functional theory (SF-TDDFT) to examine the photoisomerization and photocyclization mechanisms of cis-stilbene following excitation to the ππ* state. A state tracking method was devised to follow the target state among nearly degenerate electronic states during the dynamics simulations. The steepest descent ...
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Dynamics of the photocyclization of cis-stilbene to dihydrophenanthrene
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ژورنال
عنوان ژورنال: Croatica Chemica Acta
سال: 2014
ISSN: 0011-1643,1334-417X
DOI: 10.5562/cca2443