Solvation free energies and adsorption energies at the metal/water interface from hybrid quantum-mechanical/molecular mechanics simulations

P Clabaut, B Schweitzer, AW Gotz… - Journal of Chemical …, 2020 - ACS Publications
Modeling adsorption at metal/water interfaces is a cornerstone toward an improved
understanding in a variety of fields from heterogeneous catalysis to corrosion. We propose …
被引用次数：41 相关文章

Solvation Free Energies and Adsorption Energies at the Metal/Water Interface from Hybrid QM-MM Simulations

P Clabaut, B Schweitzer, A Goetz, C Michel… - 2020 - chemrxiv.org
Modeling adsorption at the metal/water interfaces is a corner-stone towards an improved
understanding in a variety of fields from heterogeneous catalysis to corrosion. We propose …
[PDF] semanticscholar.org

[PDF][PDF] Solvation Free Energies and Adsorption Energies at the Metal/Water Interface from Hybrid QM-MM Simulations

P Clabaut, B Schweitzer, AW Götz, C Michel… - pdfs.semanticscholar.org
Modeling adsorption at the metal/water interfaces is a corner-stone towards an improved
understanding in a variety of fields from heterogeneous catalysis to corrosion. We propose …
[PDF] archive.org

[PDF][PDF] Solvation Free Energies and Adsorption Energies at the Metal/Water Interface from Hybrid QM-MM Simulations

P Clabaut, B Schweitzer, A Goetz, C Michel… - scholar.archive.org
Modeling adsorption at the metal/water interfaces is a corner-stone towards an improved
understanding in a variety of fields from heterogeneous catalysis to corrosion. We propose …

Solvation Free Energies and Adsorption Energies at the Metal/Water Interface from Hybrid Quantum-Mechanical/Molecular Mechanics Simulations.

P Clabaut, B Schweitzer, AW Götz, C Michel… - Journal of Chemical …, 2020 - europepmc.org
Modeling adsorption at metal/water interfaces is a cornerstone toward an improved
understanding in a variety of fields from heterogeneous catalysis to corrosion. We propose …

Solvation Free Energies and Adsorption Energies at the Metal/Water Interface from Hybrid Quantum-Mechanical/Molecular Mechanics Simulations

P Clabaut, B Schweitzer, AW Götz, C Michel… - Journal of Chemical …, 2020 - hal.science
Modeling adsorption at metal/water interfaces is a cornerstone toward an improved
understanding in a variety of fields from heterogeneous catalysis to corrosion. We propose …

Solvation Free Energies and Adsorption Energies at the Metal/Water Interface from Hybrid Quantum-Mechanical/Molecular Mechanics Simulations

P Clabaut, B Schweitzer, AW Götz… - … of chemical theory …, 2020 - pubmed.ncbi.nlm.nih.gov
Modeling adsorption at metal/water interfaces is a cornerstone toward an improved
understanding in a variety of fields from heterogeneous catalysis to corrosion. We propose …

[引用][C] Solvation Free Energies and Adsorption Energies at the Metal/Water Interface from Hybrid Quantum-Mechanical/Molecular Mechanics Simulations

P Clabaut, B Schweitzer, AW Götz, C Michel… - Journal of Chemical …, 2020 - cir.nii.ac.jp
Solvation Free Energies and Adsorption Energies at the Metal/Water Interface from Hybrid
Quantum-Mechanical/Molecular Mechanics Simulations | CiNii Research CiNii 国立情報学 …
[PDF] academia.edu

[PDF][PDF] Solvation Free Energies and Adsorption Energies at the Metal/Water Interface from Hybrid QM-MM Simulations

P Clabaut, B Schweitzer, AW Götz, C Michel… - academia.edu
Modeling adsorption at the metal/water interfaces is a corner-stone towards an improved
understanding in a variety of fields from heterogeneous catalysis to corrosion. We propose …

Solvation Free Energies and Adsorption Energies at the Metal/Water Interface from Hybrid Quantum-Mechanical/Molecular Mechanics Simulations

P Clabaut, B Schweitzer, AW Götz… - Journal of Chemical …, 2020 - inria.hal.science
Modeling adsorption at metal/water interfaces is a cornerstone toward an improved
understanding in a variety of fields from heterogeneous catalysis to corrosion. We propose …