Search

Organic Chemistry

Working Paper

The Photoisomerization Pathway(s) of Push-Pull Phenylazoheteroarenes

Sergi Vela, Clemence Corminboeuf

Version 1 posted 29 April 2020

583

Downloads

Inorganic Chemistry

Working Paper

Thermal Spin Crossover in Fe(II) and Fe(III). Accurate Spin State Energetics at the Solid State

Sergi Vela, Maria Fumanal, Jordi Cirera, Jordi Ribas

Version 1 posted 02 December 2019

616

Downloads

Theoretical and Computational Chemistry

Working Paper

Identifying the Trade-off between Intramolecular Singlet Fission Requirements in Donor-Acceptor Copolymers

Jacob Terence Blaskovits, Maria Fumanal, Sergi Vela, Raimon Fabregat, Clemence Corminboeuf

Version 1 posted 07 December 2020

443

Downloads

Physical Chemistry

Working Paper

Exploring the Chemical Space in Search for Improved Azoheteroarene-Based Photoswitches

Sergi Vela, Constantin Kruger, Clemence Corminboeuf

Version 1 posted 16 July 2019

599

Downloads

Theoretical and Computational Chemistry

Working Paper

From Organic Fragments to Photoswitchable Catalysts: The OFF-ON Structural Repository for Transferable Kernel-based Potentials

Frédéric Célerse, Matthew Wodrich, Sergi Vela, Simone Gallarati, Raimon Fabregat, Veronika Juraskova, Clémence Corminboeuf

Version 1 posted 06 December 2023

83

Downloads

Theoretical and Computational Chemistry

Working Paper

Designing Singlet Fission Candidates from Donor-Acceptor Copolymers

Jacob Terence Blaskovits, Maria Fumanal, Sergi Vela, Clemence Corminboeuf

Version 2 posted 27 April 2020

864

Downloads

Physical Chemistry

Working Paper

Tuning the Thermal Stability and Photoisomerization of Azoheteroarenes through Macrocycle Strain

Sergi Vela, Alan Scheidegger, Raimon Fabregat, Clemence Corminboeuf

Version 2 posted 26 August 2020

459

Downloads

Theoretical and Computational Chemistry

Working Paper

Automated Prediction of Ground State Spin for Transition Metal Complexes

Cho Yuri, Ruben Laplaza, Sergi Vela, Clémence Corminboeuf

Version 1 posted 25 March 2024

140

Downloads

Catalysis

Working Paper

OSCAR: An Extensive Repository of Chemically and Functionally Diverse Organocatalysts

Simone Gallarati, Puck van Gerwen, Ruben Laplaza, Sergi Vela, Alberto Fabrizio, Clemence Corminboeuf

Version 1 posted 30 August 2022

616

Downloads

Materials Chemistry

Working Paper

Data-driven discovery of organic electronic materials enabled by hybrid top-down/bottom-up design

J. Terence Blaskovits, Ruben Laplaza, Sergi Vela, Clémence Corminboeuf

Version 1 posted 05 December 2022

629

Downloads

3

Citations

Refine Search

10 results in Sergi Vela in Authors: Sergi Vela

The Photoisomerization Pathway(s) of Push-Pull Phenylazoheteroarenes

Thermal Spin Crossover in Fe(II) and Fe(III). Accurate Spin State Energetics at the Solid State

Identifying the Trade-off between Intramolecular Singlet Fission Requirements in Donor-Acceptor Copolymers

Exploring the Chemical Space in Search for Improved Azoheteroarene-Based Photoswitches

From Organic Fragments to Photoswitchable Catalysts: The OFF-ON Structural Repository for Transferable Kernel-based Potentials

Designing Singlet Fission Candidates from Donor-Acceptor Copolymers

Tuning the Thermal Stability and Photoisomerization of Azoheteroarenes through Macrocycle Strain

Automated Prediction of Ground State Spin for Transition Metal Complexes

OSCAR: An Extensive Repository of Chemically and Functionally Diverse Organocatalysts

Data-driven discovery of organic electronic materials enabled by hybrid top-down/bottom-up design

10 results in Authors: Sergi Vela