Role of Ultrafast Internal Conversion and Intersystem Crossing in the Nonadiabatic Relaxation Dynamics of ortho-Nitrobenzaldehyde

por Vörös, Dóra, Mai, Sebastian
Publicado 2023

Unconventional two-step spin relaxation dynamics of [Re(CO)(3)(im)(phen)](+) in aqueous solution

por Mai, Sebastian, González, Leticia
Publicado 2019

Molecular Photochemistry: Recent Developments in Theory

por Mai, Sebastian, González, Leticia
Publicado 2020

Excited-State Dynamics Simulations of a Light-Driven Molecular Motor in Solution

por Wen, Jin, Mai, Sebastian, González, Leticia
Publicado 2023

A Static Picture of the Relaxation and Intersystem Crossing Mechanisms of Photoexcited 2-Thiouracil

por Mai, Sebastian, Marquetand, Philipp, González, Leticia
Publicado 2015

Intersystem Crossing Pathways in the Noncanonical Nucleobase 2-Thiouracil: A Time-Dependent Picture

por Mai, Sebastian, Marquetand, Philipp, González, Leticia
Publicado 2016

Nonadiabatic dynamics: The SHARC approach

por Mai, Sebastian, Marquetand, Philipp, González, Leticia
Publicado 2018

Particle Swarm Contour Search Algorithm

por Weikert, Dominik, Mai, Sebastian, Mostaghim, Sanaz
Publicado 2020

LVC/MM: A Hybrid Linear Vibronic Coupling/Molecular Mechanics Model with Distributed Multipole-Based Electrostatic Embedding for Highly Efficient Surface Hopping Dynamics in Soluti...

por Polonius, Severin, Zhuravel, Oleksandra, Bachmair, Brigitta, Mai, Sebastian
Publicado 2023

Ultrafast intersystem crossing dynamics in uracil unravelled by ab initio molecular dynamics

por Richter, Martin, Mai, Sebastian, Marquetand, Philipp, González, Leticia
Publicado 2014

Revealing Deactivation Pathways Hidden in Time-Resolved Photoelectron Spectra

por Ruckenbauer, Matthias, Mai, Sebastian, Marquetand, Philipp, González, Leticia
Publicado 2016

Novel Molecular-Dynamics-Based Protocols for Phase Space Sampling in Complex Systems

por Mai, Sebastian, Gattuso, Hugo, Monari, Antonio, González, Leticia
Publicado 2018

Jahn‐Teller Effects in a Vanadate‐Stabilized Manganese‐Oxo Cubane Water Oxidation Catalyst

por Mai, Sebastian, Holzer, Marcus, Andreeva, Anastasia, González, Leticia
Publicado 2021

Adsorption of 4-(N,N-Dimethylamino)-4′-nitrostilbene on an Amorphous Silica Glass Surface

por Vörös, Dóra, Angeletti, Andrea, Franchini, Cesare, Mai, Sebastian, González, Leticia
Publicado 2023

Simulated and Experimental Time-Resolved Photoelectron Spectra of the Intersystem Crossing Dynamics in 2-Thiouracil

por Mai, Sebastian, Mohamadzade, Abed, Marquetand, Philipp, González, Leticia, Ullrich, Susanne
Publicado 2018

Challenges in Simulating Light-Induced Processes in DNA

por Marquetand, Philipp, Nogueira, Juan J., Mai, Sebastian, Plasser, Felix, González, Leticia
Publicado 2016

Surface Hopping Dynamics on Vibronic Coupling Models

por Zobel, J. Patrick, Heindl, Moritz, Plasser, Felix, Mai, Sebastian, González, Leticia
Publicado 2021

Ultrafast Intersystem Crossing Dynamics of 6-Selenoguanine in Water

por Valverde, Danillo, Mai, Sebastian, Canuto, Sylvio, Borin, Antonio Carlos, González, Leticia
Publicado 2022

Efficient and Flexible Computation of Many-Electron Wave Function Overlaps

por Plasser, Felix, Ruckenbauer, Matthias, Mai, Sebastian, Oppel, Markus, Marquetand, Philipp, González, Leticia
Publicado 2016

Solvatochromic Effects on the Absorption Spectrum of 2-Thiocytosine

por Mai, Sebastian, Ashwood, Brennan, Marquetand, Philipp, Crespo-Hernández, Carlos E., González, Leticia
Publicado 2017