Can PIMD Make a Good Approximation for Vapor Pressure Isotope Effects Prediction for Organic Solvents? A Comparison to ONIOM QM/MM and QM Cluster Calculation
Authors: L. Vasquez, M. Rostkowski, F. Gelman, A. Dybala-Defratyka
Published in: Journal of Physical Chemistry B
Publication type: article
Subject areas: Chemistry; Materials Science; Medicine
SJR best quartile: Q1