The Interplay between ππ*/nπ* Excited States in Gas-Phase Thymine: A Quantum Dynamical Study

ChemPhysChem ◽  
2011 ◽  
Vol 12 (10) ◽  
pp. 1957-1968 ◽  
Author(s):  
David Picconi ◽  
Vincenzo Barone ◽  
Alessandro Lami ◽  
Fabrizio Santoro ◽  
Roberto Improta
Keyword(s):  
Gas Phase ◽  
Excited States ◽  
Dynamical Study ◽  
Quantum Dynamical

scholarly journals Ultrafast Dynamics of the Two Lowest Bright Excited States of Cytosine and 1-Methylcytosine: A Quantum Dynamical Study

2020 ◽  
Vol 16 (9) ◽  
pp. 5792-5808 ◽  
Author(s):  
Martha Yaghoubi Jouybari ◽  
Yanli Liu ◽  
Roberto Improta ◽  
Fabrizio Santoro
Keyword(s):  
Excited States ◽  
Ultrafast Dynamics ◽  
Dynamical Study ◽  
Quantum Dynamical

Quantum dynamical study of heavy-light-heavy reactions: application to the (Cl + CH4 → HCl + CH3) reaction

2015 ◽  
Vol 56 (7) ◽  
pp. 1299-1304
Author(s):  
A. H. Moussa ◽  
M. Shalaby ◽  
H. Talaat ◽  
S. El-Wallid Sedik ◽  
M. T. El-Din Kamal
Keyword(s):  
Dynamical Study ◽  
Quantum Dynamical

A quantum dynamical study of CH overtones in fluoroform. II. Eigenstate analysis of the vCH=1 and vCH=2 regions

1997 ◽  
Vol 106 (23) ◽  
pp. 9483-9496 ◽  
Author(s):  
Andrew Maynard ◽  
Robert E. Wyatt ◽  
Christopher Iung
Keyword(s):  
Dynamical Study ◽  
Quantum Dynamical

EXCITED STATES OF ACETYLENE AND THEIR ROLE IN PYROLYSIS

1958 ◽  
Vol 36 (1) ◽  
pp. 131-136 ◽  
Author(s):  
G. J. Minkoff
Keyword(s):  
Liquid Phase ◽  
Induction Period ◽  
Gas Phase ◽  
Recent Work ◽  
Excited States ◽  
Trans Configuration ◽  
Detailed Mechanism ◽  
Vinyl Polymerization ◽  
Gas Phase Polymerization ◽  
Kinetic Form

Previous theories of acetylene pyrolysis are reviewed in the light of recent work by Minkoff, Newitt, and Rutledge. It is shown that the relatively large rates observed at the beginning of the induction period do not agree with mechanisms involving the intervention of comparatively stable dimers. The required kinetic form is obtained, however, if a triplet diradical is produced on the surface in a bimolecular process, followed by gas phase polymerization, with some chain ending on the surface. The detailed mechanism closely resembles Flory's scheme for liquid phase vinyl polymerization. The shape of the radical is discussed, and it is suggested that the trans-configuration leads to polymerization, while the cis facilitates dehydrogenation.

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