Search

Categories

Physical Chemistry

(1)

Theoretical and Computational Chemistry

(2)

Content Types

Working Paper

(2)

Published Date

Over 3 years

(2)

Keywords

Authors

Niel M. Henriksen

2 results in Authors: Niel M. Henriksen

Theoretical and Computational Chemistry

Optimized Mapping of Gas-Phase Quantum Calculations to General Force Field Lennard-Jones Parameters Based on Liquid-State Data

Sophie Kantonen, Hari S. Muddana, Niel M. Henriksen, Lee-Ping Wang, Michael Gilson

Version 1 posted 29 July 2019

796

Downloads

1

Citations

Theoretical and Computational Chemistry

Bind3P: Optimization of a Water Model with Host-Guest Binding Data

Jian Yin, Niel M. Henriksen, Hari S. Muddana, Michael K. Gilson

Version 2 posted 02 April 2018

1,087

Downloads