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

Jorge Pulido,Luis Macaya,Esteban Vöhringer-Martinez

doi:10.1021/acs.jced.4c00144

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

Jorge Pulido, Luis Macaya + Show 1 more

https://doi.org/10.1021/acs.jced.4c00144

Copy DOI

Export

Save

Cite

Journal: Journal of Chemical & Engineering Data

Publication Date: Aug 2, 2024

#Nonbonded Force Field Parameters #Molecular Density #Nonbonded Force Field #Molecular Electron Density #Force Field Parameters #Molecular Electron #Thermophysical Properties #Field Parameters #Force Field #Electron Density

Abstract
Full-Text
Similar Papers

Abstract

Listen

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

Full Text

Published Version

Check institute access

Open DOI Link

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Similar Papers

Paper Title

Journal

Date

Author

View more papers

More From: Journal of Chemical & Engineering Data

Paper Title

Journal

Date

Author

View more papers

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.

R Discovery Prime

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