Search

3 results in Keywords: charge model

Theoretical and Computational Chemistry

ConfRank+: Extending Conformer Ranking to Charged Molecules

Rick Oerder, Christian Hölzer, Jan Hamaekers

Version 1 posted 05 June 2025

33

Downloads

Theoretical and Computational Chemistry

Determining Partial Atomic Charges for Liquid Water: Assessing Electronic Structure and Charge Models

Bowen Han, Christine Isborn, Liang Shi

Version 1 posted 19 October 2020

3,877

Downloads

Biological and Medicinal Chemistry

Primary vs Secondary: Directionalized Guest Coordination in β-Cyclodextrin Derivatives

Zhaoxi Sun, Lei Zheng, Kai Wang, Zhe Huai, Zhirong Liu

Version 1 posted 22 June 2022

377

Downloads

1

Citations