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Publications by J. J. Dannenberg
Aqueous Solvation of Polyalanine Α-Helices With Specific Water Molecules and With the CPCM and SM5.2 Aqueous Continuum Models Using Density Functional Theory
Journal of Physical Chemistry B
Surfaces
Theoretical Chemistry
Materials Chemistry
Films
Medicine
Coatings
Physical
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Polar-Solvation Classical Density-Functional Theory for Electrolyte Aqueous Solutions Near a Wall
Physical review. E
Nonlinear Physics
Probability
Statistics
Condensed Matter Physics
Statistical
Binding Selectivity of Dibenzo-18-Crown-6 for Alkali Metal Cations in Aqueous Solution: A Density Functional Theory Study Using a Continuum Solvation Model
Chemistry Central Journal
Chemistry
Density Functional Theory Prediction of the Aqueous Speciation of ZrF4 and HfF4
Journal of the Southern African Institute of Mining and Metallurgy
Geotechnical Engineering
Alloys
Materials Chemistry
Metals
Engineering Geology
Modeling Aqueous Solvation With Semi-Explicit Assembly
Proceedings of the National Academy of Sciences of the United States of America
Multidisciplinary
Hybrid Solvation Models for Bulk, Interface, and Membrane: Reference Interaction Site Methods Coupled With Density Functional Theory
Physical Review B
Optical
Electronic
Condensed Matter Physics
Magnetic Materials
Mechanism of Oxidative Shuttling for [2]Rotaxane in a Stoddart-Heath Molecular Switch: Density Functional Theory Study With Continuum-Solvation Model
One-Dimensional Continuum Electronic Structure With the Density-Matrix Renormalization Group and Its Implications for Density-Functional Theory
Physical Review Letters
Astronomy
Physics
Methods to Improve the Calculations of Solvation Model Density Solvation Free Energies and Associated Aqueous pKa Values: Comparison Between Choosing an Optimal Theoretical Level, Solute Cavity Scaling, and Using Explicit Solvent Molecules
Computational Study of Copper(II) Complexation and Hydrolysis in Aqueous Solutions Using Mixed Cluster/Continuum Models
Journal of Physical Chemistry A
Medicine
Theoretical Chemistry
Physical
