Search

Physical Chemistry

Working Paper

Inverse Design of Singlet Fission Materials with Uncertainty-Controlled Genetic Optimization

Luca Schaufelberger, J. Terence Blaskovits, Rubén Laplaza, Kjell Jorner, Clemence Corminboeuf

Version 1 posted 07 August 2024

381

Downloads

Physical Chemistry

Working Paper

Excited-state Hund’s Rule Violations in Bridged [10]- and [14]Annulene Perimeters

J. Terence Blaskovits, Clemence Corminboeuf, Marc H. Garner

Version 1 posted 17 June 2024

264

Downloads

Physical Chemistry

Working Paper

Double-bond delocalization in non-alternant hydrocarbons induces inverted singlet-triplet gaps

Marc H. Garner, J. Terence Blaskovits, Clemence Corminboeuf

Version 1 posted 04 July 2023

340

Downloads

Catalysis

Working Paper

Engineering Frustrated Lewis Pair Active Sites in Porous Organic Scaffolds for Catalytic CO2 Hydrogenation

Shubhajit Das, Ruben Laplaza, J. Terence Blaskovits, Clémence Corminboeuf

Version 2 posted 31 January 2024

658

Downloads

Materials Chemistry

Working Paper

Aromaticity-driven singlet-triplet inversions

J. Terence Blaskovits, Marc H. Garner, Clemence Corminboeuf

Version 1 posted 08 December 2022

607

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

701

Downloads

3

Citations

Physical Chemistry

Working Paper

Enhanced inverted singlet-triplet gaps in azaphenalenes and non-alternant hydrocarbons

Marc H. Garner, J. Terence Blaskovits, Clémence Corminboeuf

Version 1 posted 23 November 2023

334

Downloads

Physical Chemistry

Working Paper

Singlet-Triplet Inversions in Through-Bond Charge-Transfer States

J. Terence Blaskovits, Clémence Corminboeuf, Marc H. Garner

Version 1 posted 02 August 2024

364

Downloads

Theoretical and Computational Chemistry

Working Paper

Generative Design of Singlet Fission Materials by Revisiting the Use of a Fragment-oriented Database

Thanapat Worakul, Rubén Laplaza, J. Terence Blaskovits, Clémence Corminboeuf

Version 1 posted 20 March 2025

76

Downloads

Refine Search

9 results in J. Terence Blaskovits in Authors: J. Terence Blaskovits

Inverse Design of Singlet Fission Materials with Uncertainty-Controlled Genetic Optimization

Excited-state Hund’s Rule Violations in Bridged [10]- and [14]Annulene Perimeters

Double-bond delocalization in non-alternant hydrocarbons induces inverted singlet-triplet gaps

Engineering Frustrated Lewis Pair Active Sites in Porous Organic Scaffolds for Catalytic CO2 Hydrogenation

Aromaticity-driven singlet-triplet inversions

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

Enhanced inverted singlet-triplet gaps in azaphenalenes and non-alternant hydrocarbons

Singlet-Triplet Inversions in Through-Bond Charge-Transfer States

Generative Design of Singlet Fission Materials by Revisiting the Use of a Fragment-oriented Database

9 results in Authors: J. Terence Blaskovits