Nonbonded Force Field Parameters from MBIS Partitioning of the Molecular Electron Density Improve Thermophysical Properties Prediction of Organic Liquids

Saved in:
Bibliographic Details
Published in:Journal of chemical and engineering data 2024-09, Vol.69 (9), p.2917-2926
Main Authors: Pulido, Jorge, Macaya, Luis, Vöhringer-Martinez, Esteban
Format: Article
Language:English
Citations: Items that this one cites
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:
ISSN:0021-9568
1520-5134
DOI:10.1021/acs.jced.4c00144