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Publications in Theoretical Chemistry

Structural Modeling and Biochemical Characterization of Recombinant KPN_02809, a Zinc-Dependent Metalloprotease From Klebsiella Pneumoniae MGH 78578

International Journal of Molecular Sciences
Organic ChemistryMolecular BiologyTheoretical ChemistryInorganic ChemistryComputer Science ApplicationsSpectroscopyMedicineCatalysisPhysical
2012English

Exploring the Effect of Gold Support on the Oxygen Reduction Reaction Activity of Metal Porphycenes

ChemCatChem
Organic ChemistryInorganic ChemistryCatalysisTheoretical ChemistryPhysical
2018English

Ethylene (Co)Oligomerization by Phosphine-Pyridine Based Palladium and Nickel Catalysts

ChemCatChem
Organic ChemistryInorganic ChemistryCatalysisTheoretical ChemistryPhysical
2018English

Thermal Vibration-Induced Rotation of Nano-Wheel: A Molecular Dynamics Study

International Journal of Molecular Sciences
Organic ChemistryMolecular BiologyTheoretical ChemistryInorganic ChemistryComputer Science ApplicationsSpectroscopyMedicineCatalysisPhysical
2018English

Sustainable and Affordable Chemistry

ChemCatChem
Organic ChemistryInorganic ChemistryCatalysisTheoretical ChemistryPhysical
2019English

Virtual Screening Guided Design, Synthesis and Bioactivity Study of Benzisoselenazolones (BISAs) on Inhibition of C-Met and Its Downstream Signalling Pathways

International Journal of Molecular Sciences
Organic ChemistryMolecular BiologyTheoretical ChemistryInorganic ChemistryComputer Science ApplicationsSpectroscopyMedicineCatalysisPhysical
2019English

Sequential Photooxidation of a Pt(II) (Diimine)cysteamine Complex: Intermolecular Oxygen Atom Transfer Versus Sulfinate Formation

Inorganic Chemistry
Inorganic ChemistryChemistryTheoretical ChemistryPhysical
2013English

Monooxomolybdenum(VI) Complexes Possessing Olefinic Dithiolene Ligands: Probing Mo−S Covalency Contributions to Electron Transfer in Dimethyl Sulfoxide Reductase Family Molybdoenzymes

Inorganic Chemistry
Inorganic ChemistryChemistryTheoretical ChemistryPhysical
2010English

Searching for Missing Binary Equiatomic Phases: Complex Crystal Chemistry in the Hf−In System

Inorganic Chemistry
Inorganic ChemistryChemistryTheoretical ChemistryPhysical
2018English

Reactions of Tetracyclone Molybdenum Complexes With Electrophilic Alkynes: Cyclopentadienone–Alkyne Coupling and Alkyne Coordination

Organometallics
Organic ChemistryInorganic ChemistryTheoretical ChemistryPhysical
2017English

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