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Publications in Theoretical Chemistry

Direct MD Simulations of Terahertz Absorption and 2D Spectroscopy Applied to Explosive Crystals

Journal of Physical Chemistry Letters
Materials ScienceNanotechnologyPhysicalTheoretical ChemistryNanoscience
2014English

Green Shipping: Marine Engine Pollution Abatement Using a Combined Catalyst/Seawater Scrubber System. 1. Effect of Catalyst

Journal of Catalysis
Theoretical ChemistryCatalysisPhysical
2015English

Efficient Hierarchically Structured Composites Containing Cobalt Catalyst for Clean Synthetic Fuel Production From Fischer–Tropsch Synthesis

Journal of Catalysis
Theoretical ChemistryCatalysisPhysical
2014English

Gold Catalysts for the Synthesis of Aromatic Azocompounds From Nitroaromatics in One Step

Journal of Catalysis
Theoretical ChemistryCatalysisPhysical
2014English

Active Sites Speciation of Supported CoMoS Phase Probed by NO Molecule: A Combined IR and DFT Study

Journal of Catalysis
Theoretical ChemistryCatalysisPhysical
2018English

Influence of Acid Ion-Exchange Resins Morphology in a Swollen State on the Synthesis of Ethyl Octyl Ether From Ethanol and 1-Octanol

Journal of Catalysis
Theoretical ChemistryCatalysisPhysical
2013English

Exploring the Impact of Zeolite Porous Voids in Liquid Phase Reactions: The Case of Glycerol Etherification by Tert -Butyl Alcohol

Journal of Catalysis
Theoretical ChemistryCatalysisPhysical
2018English

Highly Selective and Efficient Photocatalytic Reduction of Nitrate in Water by a Tandem Reaction System Consisting of Pt/TiO 2 and SnPd/Al 2 O 3 : A Comparative Study of the Tandem Reaction System With a Typical Semiconductor Photocatalyst, SnPd/TiO 2

Journal of Catalysis
Theoretical ChemistryCatalysisPhysical
2017English

Revisiting Carbenium Chemistry on Amorphous Silica-Alumina: Unraveling Their Milder Acidity as Compared to Zeolites

Journal of Catalysis
Theoretical ChemistryCatalysisPhysical
2015English

Superior Fischer-Tropsch Performance of Uniform Cobalt Nanoparticles Deposited Into Mesoporous SiC

Journal of Catalysis
Theoretical ChemistryCatalysisPhysical
2020English

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