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Publications in Theoretical Chemistry
The Chemistry of Electrolyte Reduction on Silicon Electrodes Revealed by in Situ ATR-FTIR Spectroscopy
Journal of Physical Chemistry C
Surfaces
Energy
Nanoscience
Theoretical Chemistry
Optical
Magnetic Materials
Films
Nanotechnology
Electronic
Coatings
Physical
Reactivity of Monolayer Protected Silver Clusters Toward Excess Ligand: A Calorimetric Study
Journal of Physical Chemistry C
Surfaces
Energy
Nanoscience
Theoretical Chemistry
Optical
Magnetic Materials
Films
Nanotechnology
Electronic
Coatings
Physical
A Branch-And-Bound Approach for Tautomer Enumeration
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
OSCAR4: A Flexible Architecture for Chemical Text-Mining
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
Understanding Liquid–Solid-Like Behavior of Tetrahydrofuran Adlayers at Room Temperature Between Graphene and Mica: A Born–Oppenheimer Molecular Dynamics Study
Journal of Physical Chemistry C
Surfaces
Energy
Nanoscience
Theoretical Chemistry
Optical
Magnetic Materials
Films
Nanotechnology
Electronic
Coatings
Physical
A Fast Topological Analysis Algorithm for Large-Scale Similarity Evaluations of Ligands and Binding Pockets
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
Molecular De-Novo Design Through Deep Reinforcement Learning
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
Coarse-Grained and All-Atom MD Simulations With Gromacs Based on CELLmicrocosmos 2.2 Model Membranes
Journal of Cheminformatics
Computer Graphics
Information Sciences
Library
Theoretical Chemistry
Computer Science Applications
Computer-Aided Design
Physical
Structure of V2O5·nH2O Xerogels
Journal of Physical Chemistry C
Surfaces
Energy
Nanoscience
Theoretical Chemistry
Optical
Magnetic Materials
Films
Nanotechnology
Electronic
Coatings
Physical
Role of the Exposed Pt Active Sites and BaO2Formation in NOxStorage Reduction Systems: A Model Catalyst Study on BaOx/Pt(111)
Journal of Physical Chemistry C
Surfaces
Energy
Nanoscience
Theoretical Chemistry
Optical
Magnetic Materials
Films
Nanotechnology
Electronic
Coatings
Physical
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