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Journal of Chemical Theory and Computation
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August 10, 2018
Intersystem Crossing as a Key Component of the Nonadiabatic Relaxation Dynamics of Bithiophene and Terthiophene
Thomas Schnappinger, Marco Marazzi, Sebastian Mai, et al.
Angewandte Chemie (International Ed. in English)
|
April 17, 2026
Oxidation State Determines Solvent Structure Around a Manganese-Vanadium Polyoxometalate Water-Oxidation Catalyst
Simon Tippner, Moritz Remmers, Sebastian Mai, et al.
The Journal of Physical Chemistry Letters
|
August 16, 2020
Excimer Intermediates en Route to Long-Lived Charge-Transfer States in Single-Stranded Adenine DNA as Revealed by Nonadiabatic Dynamics
Lea M Ibele, Pedro A Sánchez-Murcia, Sebastian Mai, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 7, 2017
Excited-states of a rhenium carbonyl diimine complex: solvation models, spin-orbit coupling, and vibrational sampling effects
Sebastian Mai, Hugo Gattuso, Maria Fumanal, et al.
Chemical Science
|
December 21, 2019
Machine learning enables long time scale molecular photodynamics simulations
Julia Westermayr, Michael Gastegger, Maximilian F S J Menger, et al.
Journal of the American Chemical Society
|
July 1, 2022
Resolving Femtosecond Solvent Reorganization Dynamics in an Iron Complex by Nonadiabatic Dynamics Simulations
Diana Bregenholt Zederkof, Klaus B Møller, Martin M Nielsen, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 24, 2022
Nonadiabatic excited-state dynamics of ReCl(CO)<sub>3</sub>(bpy) in two different solvents
Adam Šrut, Sebastian Mai, Igor V Sazanovich, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 2, 2021
On the population of triplet states of 2-seleno-thymine
Danillo Valverde, Sebastian Mai, Adalberto Vasconcelos Sanches de Araújo, et al.
The Journal of Physical Chemistry. B
|
February 11, 2021
Excited-State Properties and Relaxation Pathways of Selenium-Substituted Guanine Nucleobase in Aqueous Solution and DNA Duplex
Ye-Guang Fang, Danillo Valverde, Sebastian Mai, et al.
The Journal of Physical Chemistry Letters
|
January 29, 2016
Benzophenone Ultrafast Triplet Population: Revisiting the Kinetic Model by Surface-Hopping Dynamics
Marco Marazzi, Sebastian Mai, Daniel Roca-Sanjuán, et al.
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of 8
Search research articles
Search
Showing results (51-60 of 78) with videos related to
Sort By:
Page
of 8
Journal of Chemical Theory and Computation
|
August 10, 2018
Intersystem Crossing as a Key Component of the Nonadiabatic Relaxation Dynamics of Bithiophene and Terthiophene
Thomas Schnappinger, Marco Marazzi, Sebastian Mai, et al.
Angewandte Chemie (International Ed. in English)
|
April 17, 2026
Oxidation State Determines Solvent Structure Around a Manganese-Vanadium Polyoxometalate Water-Oxidation Catalyst
Simon Tippner, Moritz Remmers, Sebastian Mai, et al.
The Journal of Physical Chemistry Letters
|
August 16, 2020
Excimer Intermediates en Route to Long-Lived Charge-Transfer States in Single-Stranded Adenine DNA as Revealed by Nonadiabatic Dynamics
Lea M Ibele, Pedro A Sánchez-Murcia, Sebastian Mai, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 7, 2017
Excited-states of a rhenium carbonyl diimine complex: solvation models, spin-orbit coupling, and vibrational sampling effects
Sebastian Mai, Hugo Gattuso, Maria Fumanal, et al.
Chemical Science
|
December 21, 2019
Machine learning enables long time scale molecular photodynamics simulations
Julia Westermayr, Michael Gastegger, Maximilian F S J Menger, et al.
Journal of the American Chemical Society
|
July 1, 2022
Resolving Femtosecond Solvent Reorganization Dynamics in an Iron Complex by Nonadiabatic Dynamics Simulations
Diana Bregenholt Zederkof, Klaus B Møller, Martin M Nielsen, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 24, 2022
Nonadiabatic excited-state dynamics of ReCl(CO)<sub>3</sub>(bpy) in two different solvents
Adam Šrut, Sebastian Mai, Igor V Sazanovich, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 2, 2021
On the population of triplet states of 2-seleno-thymine
Danillo Valverde, Sebastian Mai, Adalberto Vasconcelos Sanches de Araújo, et al.
The Journal of Physical Chemistry. B
|
February 11, 2021
Excited-State Properties and Relaxation Pathways of Selenium-Substituted Guanine Nucleobase in Aqueous Solution and DNA Duplex
Ye-Guang Fang, Danillo Valverde, Sebastian Mai, et al.
The Journal of Physical Chemistry Letters
|
January 29, 2016
Benzophenone Ultrafast Triplet Population: Revisiting the Kinetic Model by Surface-Hopping Dynamics
Marco Marazzi, Sebastian Mai, Daniel Roca-Sanjuán, et al.
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of 8