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Publications in Theoretical Chemistry

Determination of Very Rapid Molecular Rotation by Using the Central Electron Paramagnetic Resonance Line

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2013English

Predicting Water-To-Cyclohexane Partitioning of the SAMPL5 Molecules Using Dielectric Balancing of Force Fields

Journal of Computer-Aided Molecular Design
Theoretical ChemistryDrug DiscoveryComputer Science ApplicationsPhysical
2016English

Designing the Molecular Future

Journal of Computer-Aided Molecular Design
Theoretical ChemistryDrug DiscoveryComputer Science ApplicationsPhysical
2011English

Synthesis and Characterization of Hydrogel Particles Containing Cibacron Blue F3g-A

Colloids and Surfaces A: Physicochemical and Engineering Aspects
SurfacesColloidInterfacesTheoretical ChemistrySurface ChemistryPhysical
2010English

Secondary Organic Aerosol Formation From Aromatic Alkene Ozonolysis: Influence of the Precursor Structure on Yield, Chemical Composition and Mechanism

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2019English

Chalcogen Bonds in Complexes of SOXY (X, Y = F, Cl) With Nitrogen Bases

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2015English

Electronic Structure of Cobalt–Corrole–Pyridine Complexes: Noninnocent Five-Coordinate Co(II) Corrole–Radical States

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2017English

Topological Modeling of Methane Hydrate Crystallization From Low to High Water Cut Emulsion Systems

Fluid Phase Equilibria
Theoretical ChemistryAstronomyPhysicsChemical EngineeringPhysical
2016English

Docking of Small Molecules to Farnesoid X Receptors Using AutoDock Vina With the Convex-Pl Potential: Lessons Learned From D3R Grand Challenge 2

Journal of Computer-Aided Molecular Design
Theoretical ChemistryDrug DiscoveryComputer Science ApplicationsPhysical
2017English

High-Speed Detectors Enable Synchrotron Serial Crystallography

Acta Crystallographica Section A: Foundations and Advances
Materials ScienceCondensed Matter PhysicsTheoretical ChemistryBiochemistryStructural BiologyInorganic ChemistryPhysical
2016English

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