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Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, ISSN 1386-1425, 02/2020, Volume 226, p. 117620
Acrylonitrile (AN), one of the most abundant nitriles in space, is considered to closely relate to the formation of interstellar prebiotic nitrogen-containing... 
Gas-phase | Prebiotic cation | Ion-molecule reaction | IR spectroscopy | Catalyst
Journal Article
Chemical Engineering Journal, ISSN 1385-8947, 02/2020, Volume 381, p. 122642
The method of producing of nano-dimensional silicon carbide by compressing in a cyclic chemical reactor is proposed. Pyrolysis is initiated in mixtures of... 
Pyrolysis | Silicon carbide | Cyclic flow pyrolysis method | Synthesis from gas phase | Chemical compression reactor | Nanoscale crystallites | Silicon | Semiconductive nanomaterials
Journal Article
Construction and Building Materials, ISSN 0950-0618, 01/2020, Volume 232, p. 117148
This article presents the further development of a tool for multi-phase reactive mass transport modeling for durability estimation of cement-based materials,... 
Durability | Reactive transport modeling | Gas phase | Moisture transport
Journal Article
Atmospheric Environment, ISSN 1352-2310, 01/2020, Volume 220, p. 117092
Journal Article
Catalysis Today, ISSN 0920-5861, 01/2020, Volume 339, pp. 79 - 85
The seed-derived ferrierite zeolite (FER) synthesized at different contents of FER seed component without using any organic structure-directing agent (OSDA)... 
Dimethyl ether (DME) | Seed-derived ferrierite (FER) | Organic structure directing agent (OSDA)-free synthesis | Methyl acetate (MA) | Gas-phase carbonylation | ACID | CHEMISTRY, PHYSICAL | SI-29 | ENGINEERING, CHEMICAL | ALUMINUM | MORDENITE | SITES | CHANNELS | CHEMISTRY, APPLIED | ZEOLITE | Methyl ether | Zeolites
Journal Article
Surface Science, ISSN 0039-6028, 01/2020, Volume 691, p. 121486
The interactions of water with synthesized mesoporous ceria nanoparticles are studied as a function of temperature at two water vapor partial pressures, using... 
Gas-phase H2O | Ordered mesoporous ceria | Hydroxyl groups | In situ VT-DRIFTS
Journal Article
Chemical Physics, ISSN 0301-0104, 01/2020, Volume 528, p. 110522
Oxidation mechanism of Pyrene (Py) by OH radicals is studied in two possible reactions by density functional theory (DFT) at the M06-2X/6-311++G(2df,2p)... 
Pyrene | Toxic by-products | Rate constant | Atmospheric oxidation | CARBONACEOUS PARTICLES | POLYCYCLIC AROMATIC-HYDROCARBONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | OH RADICALS | HETEROGENEOUS REACTIONS | PHENANTHRENE | RELATIVE RATE CONSTANTS | 1-HYDROXYPYRENE | NAPHTHALENE | GAS-PHASE REACTIONS
Journal Article
Chemical Physics, ISSN 0301-0104, 01/2020, Volume 528, p. 110512
InP-based quantum dots are promising candidates as Cd-free quantum dots; however, they require sharper fluorescence to satisfy the next-generation display... 
DFT calculation | InP | Synthesis | Quantum dots | Precursor | ELECTRON | NANOCRYSTALS | ALGORITHM | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | HIGHLY LUMINESCENT | INTERFACE | CHEMISTRY | EMISSION | GAS-PHASE REACTIONS | BRIGHT
Journal Article
Chemical Engineering Journal, ISSN 1385-8947, 12/2019, Volume 378, p. 122038
Three upscaled multi-tube photocatalytic reactors designed for integration into HVAC (Heating, Ventilation and Air Conditioning) systems were proposed and... 
HVAC | Prototype | VOC | Airtight chamber | Photocatalysis | TIO2 PHOTOCATALYSIS | ENGINEERING, CHEMICAL | OXIDATION REACTORS | REMOVAL | INDOOR AIR | ENGINEERING, ENVIRONMENTAL | KINETICS | GAS-PHASE | DEGRADATION | VOLATILE ORGANIC-COMPOUNDS
Journal Article
Fuel, ISSN 0016-2361, 12/2019, Volume 258, p. 116147
Journal Article
Journal Article
Journal of Molecular Structure, ISSN 0022-2860, 12/2019, Volume 1198, p. 126782
N-[(2-(Trimethylsilyl)oxy)phenyl]-4-methylbenzenesulfonamide and N-[(2-trimethylsilyloxy)phenyl]-4-chlorobenzenesulfonamide were prepared by two different... 
N-[(2-(trimethylsilyl)oxi)phenyl]sulfonamides | DFT calculations | H-bonding | Crystal structure | FTIR spectroscopy | DESIGN | N-(2-HYDROXYPHENYL)ACETAMIDE | CHEMISTRY, PHYSICAL | SULFONAMIDE DERIVATIVES | MEDICINAL CHEMISTRY | CF3 | X-RAY | GAS-PHASE | INHIBITORS | SPECTROSCOPIC CHARACTERIZATIONS
Journal Article
Journal of Chemical Technology & Biotechnology, ISSN 0268-2575, 12/2019, Volume 94, Issue 12, pp. 3772 - 3779
BACKGROUND Trace quantities of phenylacetylene can poison styrene polymerisation catalysts. The phenylacetylene content must be less than 10 ppm and selective... 
gold | gas phase | palladium | phenylacetylene | hydrogenation | Gold | Hydrogen storage | Temperature | Catalysts | Aluminum | Liquid phases | Vapor phases | Polymerization | Selectivity | Palladium | Hydrogenation | Aluminum oxide | Phenylacetylene | Reduction (metal working) | Organic chemistry | Ethylbenzene | Surface activation | Styrenes | Styrene | Metal particles
Journal Article
SCIENTIFIC REPORTS, ISSN 2045-2322, 10/2019, Volume 9, Issue 1, pp. 1 - 13
In this work, a theoretical investigation of thermochemistry and kinetics of the oxidation of bifunctional 2-Methoxyethanol (2ME) biofuel using methyl radical... 
HYDROGEN-ABSTRACTION | FLAME CALORIMETRY | ETHYLENE-GLYCOL | IONIZATION-POTENTIALS | MULTIDISCIPLINARY SCIENCES | RATE CONSTANTS | SET MODEL CHEMISTRY | GAS-PHASE | N-BUTANOL | DIMETHYL ETHER | OH RADICALS | Energy | Theory | Biodiesel fuels | Computer applications | Butanol | Oxidation | High temperature | Organic compounds
Journal Article
Scientific Reports, ISSN 2045-2322, 12/2019, Volume 9, Issue 1, pp. 1 - 13
Journal Article