Search

Categories

Physical Chemistry

(1)

Theoretical and Computational Chemistry

(2)

Content Types

Working Paper

(2)

Published Date

Last 3 years

(2)

Keywords

Global reactivity parameters

Authors

2 results in Keywords: Global reactivity parameters

Theoretical and Computational Chemistry

A Gaussian process regression (GPR) quest to predict HOMO-LUMO energy

Version 1 posted 20 July 2023

225

Downloads

Theoretical and Computational Chemistry

A DFT Evaluation of Molecular Reactivity of Volatile Organic Compounds in Support of Chemical Ionization Mass Spectrometry

Version 1 posted 21 December 2022

166

Downloads