Search

Content Types

Working Paper

(7)

Published Date

Over 3 years

(3)

Last 3 years

(4)

Keywords

reduction potential

Authors

7 results in Keywords: reduction potential

Theoretical and Computational Chemistry

Working Paper

An Efficient Multilayer Approach to Model DNA-Based Nano-Biosensors

Jesús Lucia-Tamudo, Juan Jose Nogueira, Sergio Díaz-Tendero

Version 1 posted 22 September 2022

105

Downloads

Theoretical and Computational Chemistry

Working Paper

Accurate, Automated Density Functional Theory for Complex Molecules Using On-the-fly Error Correction

Samuel Blau, Evan Walter Clark Spotte-Smith, Brandon Wood, Shyam Dwaraknath, Kristin Persson

Version 1 posted 12 October 2020

950

Downloads

Citations

Theoretical and Computational Chemistry

Working Paper

MoBioTools: A Toolkit to Setup QM/MM Calculations

Gustavo Cárdenas, Jesús Lucia-Tamudo, Henar Mateo-delaFuente, Vito F. Palmisano, Nuria Anguita-Ortiz, Lorena Ruano, Álvaro Pérez-Barcia, Sergio Díaz-Tendero, Marcos Mandado, Juan Jose Nogueira

Version 1 posted 11 May 2022

1,020

Downloads

Citations

Biological and Medicinal Chemistry

Working Paper

Selective, Modular Probes for Thioredoxins Enabled by Rational Tuning of a Unique Disulfide Structure Motif

Jan Felber, Lukas Zeisel, Lena Poczka, Karoline Scholzen, Sander Busker, Martin S. Maier, Ulrike Theisen, Christina Brandstädter, Katja Becker, Elias Arnér, Julia Thorn-Seshold, Oliver Thorn-Seshold

Version 1 posted 24 March 2021

511

Downloads

Catalysis

Working Paper

Method to Predict Reagents in Iridium-Based Photoredox Catalysis

Antoine Juneau, Taylor O. Hope, Jason Malenfant, Mihai Mesko, Jacob A. Mcneill, Mathieu Frenette

Version 1 posted 07 October 2020

908

Downloads

Citations

Inorganic Chemistry

Working Paper

Charge and Solvent Effects on the Redox Behavior of Vanadyl Salen-Crown Complexes

Hien Nguyen, Harry Morgan, Teera Chantarojsiri, Tyler Kerr, Jenny Yang, Anastassia Alexandrova, Nadia Leonard

Version 1 posted 03 February 2023

272

Downloads

Theoretical and Computational Chemistry

Working Paper

Prediction of Redox Power for Photocatalysts: Synergistic Combination of DFT and Machine Learning

Péter Pál Fehér, Ádám Madarász, András Stirling

Version 1 posted 09 March 2023

276

Downloads

Search

Refine Search

7 results in reduction potential in Keywords: reduction potential

An Efficient Multilayer Approach to Model DNA-Based Nano-Biosensors

Accurate, Automated Density Functional Theory for Complex Molecules Using On-the-fly Error Correction

MoBioTools: A Toolkit to Setup QM/MM Calculations

Selective, Modular Probes for Thioredoxins Enabled by Rational Tuning of a Unique Disulfide Structure Motif

Method to Predict Reagents in Iridium-Based Photoredox Catalysis

Charge and Solvent Effects on the Redox Behavior of Vanadyl Salen-Crown Complexes

Prediction of Redox Power for Photocatalysts: Synergistic Combination of DFT and Machine Learning

7 results in Keywords: reduction potential