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The Role of Structural Flexibility in Plasmon-Driven Coupling Reactions: Kinetic Limitations in the Dimerization of Nitro-Benzenes

Wouter Koopman, Evgenii Titov, Radwan Mohamed Sarhan, Tina Gaebel, Robin Schürmann, Amr Mostafa, Sergio Kogikoski jr., Aleksandar Milosavljevic, Felix Stete, Ferenc Liebig, Clemens N. Z. Schmitt, Joachim Koetz, Ilko Bald, Peter Saalfrank, Matias Bargheer

Version 1 posted 03 May 2021

413

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Theoretical and Computational Chemistry

Working Paper

Surface Hopping Molecular Dynamics Simulations for Photophysics and Photoreactions Involving Pyrene and CH3Cl

Elham Mazarei, Evgenii Titov, Peter Saalfrank

Version 1 posted 16 April 2025

22

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Theoretical and Computational Chemistry

Working Paper

Visible-Light-Induced Exciton Dynamics and Trans-to-Cis Isomerization in Azobenzene Aggregates: Insights from Surface Hopping / Semiempirical Configuration Interaction Molecular Dynamics Simulations

Evgenii Titov

Version 1 posted 04 December 2023

209

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Theoretical and Computational Chemistry

Working Paper

Effect of conformational disorder on exciton states of an azobenzene aggregate

Evgenii Titov

Version 1 posted 06 June 2022

273

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Theoretical and Computational Chemistry

Working Paper

The Role of Double Excitations in Exciton Dynamics of Multiazobenzenes: Trisazobenzenophane as a Test Case

Evgenii Titov

Version 1 posted 30 May 2024

198

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Theoretical and Computational Chemistry

Working Paper

Exciton states of azobenzene aggregates: A first-principles study

Evgenii Titov, Alkit Beqiraj

Version 1 posted 13 December 2022

199

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Theoretical and Computational Chemistry

Working Paper

Exciton localization and transfer in azobenzene aggregates: A surface hopping molecular dynamics study

Evgenii Titov

Version 1 posted 30 March 2023

375

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Theoretical and Computational Chemistry

Working Paper

Nonadiabatic photodynamics of amantadine and cyanoadamantane cations: Departure from the energy gap law?

Bonasree Roy, Evgenii Titov, Peter Saalfrank

Version 1 posted 25 March 2024

208

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Physical Chemistry

Working Paper

pH dependent ultrafast photodynamics of p-hydroxyphenacyl: Deprotonation accelerates the photo-uncaging reaction

Yannik Pfeifer, Till Stensitzki, Jakub Dostal, Evgenii Titov, Miroslav Kloz, Peter Saalfrank, Henrike Müller-Werkmeister

Version 1 posted 10 March 2025

74

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9 results in Evgenii Titov in Authors: Evgenii Titov

The Role of Structural Flexibility in Plasmon-Driven Coupling Reactions: Kinetic Limitations in the Dimerization of Nitro-Benzenes

Surface Hopping Molecular Dynamics Simulations for Photophysics and Photoreactions Involving Pyrene and CH3Cl

Visible-Light-Induced Exciton Dynamics and Trans-to-Cis Isomerization in Azobenzene Aggregates: Insights from Surface Hopping / Semiempirical Configuration Interaction Molecular Dynamics Simulations

Effect of conformational disorder on exciton states of an azobenzene aggregate

The Role of Double Excitations in Exciton Dynamics of Multiazobenzenes: Trisazobenzenophane as a Test Case

Exciton states of azobenzene aggregates: A first-principles study

Exciton localization and transfer in azobenzene aggregates: A surface hopping molecular dynamics study

Nonadiabatic photodynamics of amantadine and cyanoadamantane cations: Departure from the energy gap law?

pH dependent ultrafast photodynamics of p-hydroxyphenacyl: Deprotonation accelerates the photo-uncaging reaction

9 results in Authors: Evgenii Titov