scholarly journals Surface Hopping Excited-State Dynamics Study of the Photoisomerization of a Light-Driven Fluorene Molecular Rotary Motor

2011 ◽  
Vol 7 (7) ◽  
pp. 2189-2199 ◽  
Author(s):  
Andranik Kazaryan ◽  
Zhenggang Lan ◽  
Lars V. Schäfer ◽  
Walter Thiel ◽  
Michael Filatov
Keyword(s):  
Excited State ◽  
Surface Hopping ◽  
Excited State Dynamics ◽  
Rotary Motor

scholarly journals Excited state dynamics of cis,cis-1,3-cyclooctadiene: Non-adiabatic trajectory surface hopping

2020 ◽  
Vol 152 (17) ◽  
pp. 174302 ◽  
Author(s):  
Pratip Chakraborty ◽  
Yusong Liu ◽  
Thomas Weinacht ◽  
Spiridoula Matsika
Keyword(s):  
Excited State ◽  
Surface Hopping ◽  
Excited State Dynamics

Excited state dynamics and time-resolved photoelectron spectroscopy of para-xylylene

2018 ◽  
Vol 212 ◽  
pp. 83-100 ◽  
Author(s):  
Kevin Issler ◽  
Anja Röder ◽  
Florian Hirsch ◽  
Lionel Poisson ◽  
Ingo Fischer ◽  
...  
Keyword(s):  
Excited State ◽  
Ground State ◽  
Photoelectron Spectroscopy ◽  
Time Scale ◽  
Time Resolved ◽  
Surface Hopping ◽  
Excited State Dynamics ◽  
Ultraviolet Excitation ◽  
Step Mechanism

We investigated the excited-state dynamics of para-xylylene using a combination of field-induced surface hopping simulations and time-resolved photoionisation experiments. Ultraviolet excitation is followed by nonadiabatic relaxation to the ground state in a two-step mechanism on the sub-ps time scale.

scholarly journals Excited state dynamics of some nonsteroidal anti-inflammatory drugs: A surface-hopping investigation

2019 ◽  
Vol 1152 ◽  
pp. 20-27
Author(s):  
Neus Aguilera-Porta ◽  
Inés Corral ◽  
Jordi Munoz-Muriedas ◽  
Giovanni Granucci
Keyword(s):  
Excited State ◽  
Surface Hopping ◽  
Excited State Dynamics ◽  
Inflammatory Drugs ◽  
Anti Inflammatory

Surface hopping dynamics using a locally diabatic formalism: Charge transfer in the ethylene dimer cation and excited state dynamics in the 2-pyridone dimer

2012 ◽  
Vol 137 (22) ◽  
pp. 22A514 ◽  
Author(s):  
Felix Plasser ◽  
Giovanni Granucci ◽  
Jiri Pittner ◽  
Mario Barbatti ◽  
Maurizio Persico ◽  
...  
Keyword(s):  
Excited State ◽  
Charge Transfer ◽  
Surface Hopping ◽  
Excited State Dynamics ◽  
Ethylene Dimer

scholarly journals Exciton localization in excited-state dynamics of a tetracene trimer: a surface hopping LC-TDDFTB study

2018 ◽  
Vol 20 (40) ◽  
pp. 25995-26007 ◽  
Author(s):  
Evgenii Titov ◽  
Alexander Humeniuk ◽  
Roland Mitrić
Keyword(s):  
Excited State ◽  
Long Range ◽  
Surface Hopping ◽  
Excited State Dynamics ◽  
Exciton Localization

Ultrafast exciton localization in a tetracene trimer is revealed with long-range corrected DFTB surface hopping simulations.

Surface hopping investigation of benzophenone excited state dynamics

2016 ◽  
Vol 18 (15) ◽  
pp. 10499-10506 ◽  
Author(s):  
Lucilla Favero ◽  
Giovanni Granucci ◽  
Maurizio Persico
Keyword(s):  
Excited State ◽  
Surface Hopping ◽  
Excited State Dynamics ◽  
Main Pathway ◽  
Relevant Role

A mechanism of S1 decay in benzophenone: S1 → T1 is the main pathway, although transitions to T2 and higher triplets play a relevant role.

Excited state dynamics of thiophene and bithiophene: new insights into theoretically challenging systems

2015 ◽  
Vol 17 (22) ◽  
pp. 14719-14730 ◽  
Author(s):  
Antonio Prlj ◽  
Basile F. E. Curchod ◽  
Clémence Corminboeuf
Keyword(s):  
Excited State ◽  
Surface Hopping ◽  
Excited State Dynamics

ADC(2) surface hopping study of the ultrafast deactivation mechanisms for thiophene and bithiophene.

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