Search

Categories

Biological and Medicinal Chemistry

(3)

Chemical Engineering and Industrial Chemistry

(2)

Earth, Space, and Environmental Chemistry

(1)

Nanoscience

(1)

Physical Chemistry

(1)

Polymer Science

(1)

Theoretical and Computational Chemistry

(3)

Content Types

Working Paper

(4)

Published Date

Last 3 years

(4)

Keywords

HF/6-31G*

Authors

4 results in Keywords: HF/6-31G*

Biological and Medicinal Chemistry

Host Dynamics under General-Purpose Force Fields

Xiaohui Wang, Zhe Huai, Zhaoxi Sun

Version 2 posted 04 May 2023

203

Downloads

1

Citations

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

297

Downloads

1

Citations

Chemical Engineering and Industrial Chemistry

Chemical Accuracy Prediction of Molecular Solvation and Partition in Ionic Liquids with Educated Estimators

Zuo-yuan Zhang, Xiaohui Wang, Qiaole He, Zhaoxi Sun

Version 1 posted 24 August 2023

84

Downloads

Chemical Engineering and Industrial Chemistry

Molecular Modelling of Ionic Liquids: Perfluorinated Anionic Species with Enlarged Halogen Substitutions

Zhaoxi Sun, Lei Zheng, Zuo-yuan Zhang, Yalong Cong, Jingjing Yang, Xiaohui Wang

Version 1 posted 13 December 2022

222

Downloads

1

Citations