Search

Categories

Materials Science

(1)

Theoretical and Computational Chemistry

(2)

Content Types

Working Paper

(2)

Published Date

Last 3 years

(2)

Last 12 months

(2)

Last 6 months

(1)

Last 3 months

(1)

Keywords

Authors

Alexander Croy

2 results in Authors: Alexander Croy

Materials Science

MORE-Q, Dataset for molecular olfactorial receptor engineering by quantum mechanics

Li Chen, Leonardo Rafael Medrano Sandonas, Philipp Traber, Arezoo Dianat, Nina Tverdokhleb, Mattan Hurevich, Shlomo Yitzchaik, Rafael Gutierrez, Alexander Croy, Gianaurelio Cuniberti

Version 1 posted 11 September 2024

186

Downloads

Theoretical and Computational Chemistry

Tailoring Phosphine Ligands for Improved C-H Activation: Insights from Δ-Machine Learning

Tianbai Huang, Robert Geitner, Alexander Croy, Stefanie Gräfe

Version 1 posted 10 April 2024

148

Downloads