Photoinduced Electron Transfer in Donor–Acceptor Complexes: Isotope Effect and Dynamic Symmetry Breaking

por Menzel, Jan Paul, de Groot, Huub J. M., Buda, Francesco
Publicado 2019

Correction: Automated assessment of redox potentials for dyes in dye-sensitized photoelectrochemical cells

por Belić, Jelena, Förster, Arno, Menzel, Jan Paul, Buda, Francesco, Visscher, Lucas
Publicado 2023

Automated assessment of redox potentials for dyes in dye-sensitized photoelectrochemical cells

por Belić, Jelena, Förster, Arno, Menzel, Jan Paul, Buda, Francesco, Visscher, Lucas
Publicado 2021

Systematic Computational Design and Optimization of Light Absorbing Dyes

por Belić, Jelena, van Beek, Bas, Menzel, Jan Paul, Buda, Francesco, Visscher, Lucas
Publicado 2020

Efficient workflow for the investigation of the catalytic cycle of water oxidation catalysts: Combining GFN‐xTB and density functional theory

por Menzel, Jan Paul, Kloppenburg, Martijn, Belić, Jelena, de Groot, Huub J. M., Visscher, Lucas, Buda, Francesco
Publicado 2021

Ligand Rigidity Steers the Selectivity and Efficiency of the Photosubstitution Reaction of Strained Ruthenium Polypyridyl Complexes

por Hakkennes, Matthijs L. A., Meijer, Michael S., Menzel, Jan Paul, Goetz, Anne-Charlotte, Van Duijn, Roy, Siegler, Maxime A., Buda, Francesco, Bonnet, Sylvestre
Publicado 2023

In Silico Optimization of Charge Separating Dyes for Solar Energy Conversion

por Menzel, Jan Paul, Boeije, Yorrick, Bakker, Tijmen M. A., Belić, Jelena, Reek, Joost N. H., de Groot, Huub J. M., Visscher, Lucas, Buda, Francesco
Publicado 2022

Feed-Forward Neural Network for Predicting Enantioselectivity of the Asymmetric Negishi Reaction

por Cuomo, Abbigayle E., Ibarraran, Sebastian, Sreekumar, Sanil, Li, Haote, Eun, Jungmin, Menzel, Jan Paul, Zhang, Pengpeng, Buono, Frederic, Song, Jinhua J., Crabtree, Robert H., Batista, Victor S., Newhouse, Timothy R.
Publicado 2023