ConfSolv: Prediction of solute conformer free energies across a range of solvents

Submitted on

Sun, 2025-11-02 18:10

Title

ConfSolv: Prediction of solute conformer free energies across a range of solvents

Publication Type

Journal Article

Year of Publication

2023

Authors List

Lagnajit Pattanaik, Angiras Menon, Volker Settels, Kevin Spiekermann, Zipei Tan, Florence Vermeire, Frederik Sandfort, Philipp Eiden, and William H. Green

Authors

Journal

Journal of Physical Chemistry B

Volume

127

Issue

Pages

10151-10170

Keywords

doi

http://doi.org/10.1021/acs.jpcb.3c05904

URL

Short Title

Journal of Physical Chemistry B