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RISOptimization of electron Raman scattering in double rectangular quantum wells
In this work, by using the particle swarm optimization the electron Raman scattering for square double quantum wells is optimized. For this purpose, by combining the particle swarm algorithm together with the numerical ...
A Computational Study on the Kinetics of 2-Pyridyl acetic Acid Pyrolysis in the Gas Phase
In this project a theoretical study was carried out on the reaction mechanism associated with the pyrolysis of 2-pyridylacetic acid in the gas phase. Methylpyridine and carbon dioxide were analyzed as the products. The ...
A Computational Study on the Kinetic and Mechanism of Allyl benzyl sulphide Pyrolysis in the Gas Phase
Theoretical study on the pyrolysis of allyl benzyl sulfide was carried out in the gas phase using the DFT method at the B3LYP/6-31G(d) level of the theory. Two possible mechanisms were studied, one of them includes a ...
DFT Calculations on theRetro-ene Reactions, Part III: Allyl Benzyl Sulfide Pyrolysis in the Gas Phase
Theoretical study on the pyrolysis of allyl benzyl sulfide was carried out in the gas phase using the DFT method at the B3LYP/6-31G(d) level of the theory. Two possible mechanisms were studied, one of them includes a ...
Kinetics and mechanism of 2-pyridylacetic acid pyrolysis in the gas phase: A joint experimental and theoretical study
A combination of the experimental and theoretical study was carried out on the reaction mechanism associated with the pyrolysis of
2-pyridylacetic acid in the gas phase. Methylpyridine and carbon dioxide were analyzed ...