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Publications in Theoretical Chemistry

Prediction of pKa Values for Druglike Molecules Using Semiempirical Quantum Chemical Methods

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2017English

Theoretical Investigation of the Interfaces and Mechanisms of Induced Spin Polarization of 1D Narrow Zigzag Graphene- And H-Bn Nanoribbons on a SrO-Terminated LSMO(001) Surface

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2017English

Knudsen Thermogravimetry Approach to the Thermodynamics of Aqueous Solutions

Journal of Chemical Thermodynamics
Materials ScienceMolecular Physics,Theoretical ChemistryAtomicOpticsPhysical
2013English

Structural Insights Into Transient Receptor Potential Vanilloid Type 1 (TRPV1) From Homology Modeling, Flexible Docking, and Mutational Studies

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

The Survival ofLactococcus Lactisin a Convective-Air-Drying Environment: The Role of Protectant Solids, Oxygen Injury, and Mechanism of Protection

Drying Technology
Theoretical ChemistryChemical EngineeringPhysical
2013English

Block Copolymer-Mediated Synthesis of Silver Nanoparticles From Silver Ions in Aqueous Media

Colloids and Surfaces A: Physicochemical and Engineering Aspects
SurfacesColloidInterfacesTheoretical ChemistrySurface ChemistryPhysical
2015English

Solubilization of Flurbiprofen With Non-Ionic Tween20 Surfactant Micelles: A Diffusion 1H NMR Study

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

Indirect Assessment of the Fusion Properties of Choline Chloride From Solid-Liquid Equilibria Data

Fluid Phase Equilibria
Theoretical ChemistryAstronomyPhysicsChemical EngineeringPhysical
2017English

Computational Study of Competition Between Direct Abstraction and Addition–Elimination in the Reaction of Cl Atoms With Propene

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2015English

Electronic Structure and Photoluminescence Properties of Eu(η9-C9h9)2

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2019English

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