Prediction of acid p K a values in the solvent acetone based on COSMO‐RS
Author:
Affiliation:
1. Lehrstuhl für Theoretische Chemie Ruhr‐Universität Bochum Bochum 44780 Germany
2. Dassault Systèmes Deutschland GmbH Am Kabellager 11‐15, Köln 51063 Germany
Funder
Deutsche Forschungsgemeinschaft
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26864
Reference68 articles.
1. Virtual Issue on Proton Transfer
2. Chiral proton-transfer shuttle catalysts for carbene insertion reactions
3. Proton Transfer in the Catalytic Cycle of [NiFe] Hydrogenases: Insight from Vibrational Spectroscopy
4. A critical review on recent proton exchange membranes applied in microbial fuel cells for renewable energy recovery
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