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

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

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

scholarly journals Ultrafast dynamics in polycyclic aromatic hydrocarbons: the key case of conical intersections at higher excited states and their role in the photophysics of phenanthrene monomer

2019 ◽  
Vol 21 (31) ◽  
pp. 16981-16988 ◽  
Author(s):  
M. Nazari ◽  
C. D. Bösch ◽  
A. Rondi ◽  
A. Francés-Monerris ◽  
M. Marazzi ◽  
...  
Keyword(s):  
Excited State ◽  
Excited States ◽  
Aromatic Hydrocarbons ◽  
Ultrafast Dynamics ◽  
Simultaneous Presence ◽  
Conical Intersections ◽  
Polycyclic Aromatic ◽  
Adiabatic Transitions ◽  
Proper Interpretation ◽  
Higher Excited States

Proper interpretation of phenanthrene's and similar PAHs’ photocycle relies on two higher excited state relaxations due to the simultaneous presence of non-adiabatic and adiabatic transitions.

Quantum dynamical study of the O(1D) + CH4→ CH3+ OH atmospheric reaction

2014 ◽  
Vol 140 (24) ◽  
pp. 244315 ◽  
Author(s):  
R. Ben Bouchrit ◽  
M. Jorfi ◽  
D. Ben Abdallah ◽  
N. Jaidane ◽  
M. González ◽  
...  
Keyword(s):  
Dynamical Study ◽  
Quantum Dynamical ◽  
Atmospheric Reaction
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