Recent advances in solvation modeling applications: Chemical properties, reaction mechanisms and catalysis
Author:
Funder
Australian Research Council
Publisher
Elsevier
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1. Hybrid Cluster-Continuum Method for Single-Ion Solvation Free Energy in Acetonitrile Solvent;The Journal of Physical Chemistry A;2024-07-25
2. Combination of linear solvation energy and linear free-energy relationships to aid the prediction of reaction kinetics: Application to the solvolysis of 5-HMF by alcohol to levulinate;Chemical Engineering Research and Design;2024-05
3. Exploring borderline SN1–SN2 mechanisms: the role of explicit solvation protocols in the DFT investigation of isopropyl chloride;RSC Advances;2024
4. Soft‐sphere continuum solvation models for nonaqueous solvents;Journal of Computational Chemistry;2023-12-19
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