Search

Categories

Biological and Medicinal Chemistry

(1)

Chemical Engineering and Industrial Chemistry

(1)

Earth, Space, and Environmental Chemistry

(1)

Physical Chemistry

(2)

Theoretical and Computational Chemistry

(2)

Content Types

Working Paper

(3)

Published Date

Over 3 years

(1)

Last 3 years

(2)

Keywords

Restrained electrostatic potential

Authors

3 results in Keywords: Restrained electrostatic potential

Theoretical and Computational Chemistry

Force Field Partial Charges with Restrained Electrostatic Potential 2 (RESP2)

Michael Schauperl, Paul Nerenberg, Hyesu Jang, Lee-Ping Wang, Christopher I. Bayly, David Mobley, Michael Gilson

Version 1 posted 31 October 2019

1,379

Downloads

3

Citations

Chemical Engineering and Industrial Chemistry

Molecular Modelling of Ionic Liquids: General Guidelines on Fixed-Charge Force Fields for Balanced Descriptions

Zhaoxi Sun, Zhihao Gong, Lei Zheng, Payam Kalhor, Zhe Huai, Zhirong Liu

Version 2 posted 30 June 2022

441

Downloads

Theoretical and Computational Chemistry

Comprehensive Evaluation of End-Point Free Energy Techniques in Carboxylated-Pillar[6]arene Host-guest Binding: I. Standard Procedure

Xiao Liu, Lei Zheng, Chu Qin, John Z.H. Zhang, Zhaoxi Sun

Version 1 posted 11 July 2022

236

Downloads

1

Citations