scholarly journals Communication: GAIMS—Generalized Ab Initio Multiple Spawning for both internal conversion and intersystem crossing processes

2016 ◽  
Vol 144 (10) ◽  
pp. 101102 ◽  
Author(s):  
Basile F. E. Curchod ◽  
Clemens Rauer ◽  
Philipp Marquetand ◽  
Leticia González ◽  
Todd J. Martínez
Keyword(s):  
Ab Initio ◽  
Internal Conversion ◽  
Intersystem Crossing ◽  
Multiple Spawning

Ab initio molecular dynamics of thiophene: the interplay of internal conversion and intersystem crossing

2017 ◽  
Vol 19 (37) ◽  
pp. 25662-25670 ◽  
Author(s):  
Thomas Schnappinger ◽  
Patrick Kölle ◽  
Marco Marazzi ◽  
Antonio Monari ◽  
Leticia González ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ab Initio ◽  
Internal Conversion ◽  
Ab Initio Molecular Dynamics ◽  
Intersystem Crossing ◽  
Conical Intersections ◽  
Open Ring ◽  
Ring Structures ◽  
Long Life

Ab initio on-the-fly molecular dynamics reveals that excited thiophene decays via low lying conical intersections and via intersystem crossing. Open-ring structures are responsible for the observed long life times.

Ab Initio Multiple Spawning Method for Intersystem Crossing Dynamics: Spin-Forbidden Transitions between 3B1 and 1A1 States of GeH2

2016 ◽  
Vol 120 (18) ◽  
pp. 2911-2919 ◽  
Author(s):  
Dmitry A. Fedorov ◽  
Spencer R. Pruitt ◽  
Kristopher Keipert ◽  
Mark S. Gordon ◽  
Sergey A. Varganov
Keyword(s):  
Ab Initio ◽  
Intersystem Crossing ◽  
Multiple Spawning ◽  
Forbidden Transitions

Luminescence Quenching of Rhodamines by Cyclooctatetraene

1987 ◽  
Vol 42 (9) ◽  
pp. 1009-1013 ◽  
Author(s):  
P. Targowski ◽  
B. Ziętek ◽  
A. Bączyński
Keyword(s):  
Rhodamine B ◽  
Rate Constants ◽  
Internal Conversion ◽  
Rhodamine 6G ◽  
Second Order ◽  
Luminescence Quenching ◽  
Intersystem Crossing ◽  
Order Rate ◽  
Quenching Process

Cyclooctatetraene (COT) as a quencher of fluorescence of a series of Rhodamine solutions was studied. The second order rate constants for the quenching process of Rhodamine 110, Rhodamine 19 pchl., Rhodamine 6G pchl., Rhodamine 6G, Tetramethylrhodamine, Rhodamine B and Rhodamine 3B pchl. are given. It was found that COT enhances rather intersystem crossing than internal conversion.

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