Polymers | Free Full-Text | New Polymer Inclusion Membranes in the Separation of Palladium, Zinc and Nickel Ions from Aqueous Solutions
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Electrochemical cell recharging by solvent separation and transfer processes | Scientific Reports
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Studies on Thermodynamic Dissociation Constants of 2,2'-Bipyridine, or 1,10-Phenanthroline in Acetone + Water Mixtures and Gibbs Energy of Transfer of the Hydrogen Ion from Water to Acetone + Water Mixtures | Semantic Scholar
Molecules | Free Full-Text | An Effective MM/GBSA Protocol for Absolute Binding Free Energy Calculations: A Case Study on SARS-CoV-2 Spike Protein and the Human ACE2 Receptor
Batteries | Free Full-Text | Properties of Ion Complexes and Their Impact on Charge Transport in Organic Solvent-Based Electrolyte Solutions for Lithium Batteries: Insights from a Theoretical Perspective
Single-ion solvation free energy: A new cluster–continuum approach based on the cluster expansion method - Physical Chemistry Chemical Physics (RSC Publishing) DOI:10.1039/D1CP03517G
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The Inverted Philosopher's Stone: how to turn silver to a base metal | SpringerLink
Cluster-continuum quasichemical theory calculation of the lithium ion solvation in water, acetonitrile and dimethyl sulfoxide: an absolute single- ion solvation free energy scale. | Semantic Scholar
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Ambiguities in solvation free energies from cluster-continuum quasichemical theory: lithium cation in protic and aprotic solvents - Physical Chemistry Chemical Physics (RSC Publishing) DOI:10.1039/D1CP01454D
Cellmetry: A first‐principle pKa determination by plane‐wave functions - Purgel - International Journal of Quantum Chemistry - Wiley Online Library
Machine Learning Guided Approach for Studying Solvation Environments
Ranking Reversible Covalent Drugs: From Free Energy Perturbation to Fragment Docking | Journal of Chemical Information and Modeling
Electrochemical Windows of Sulfone-Based Electrolytes for High-Voltage Li- Ion Batteries | The Journal of Physical Chemistry B
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