منابع مشابه
Application of GA in Optimization of Modified Benzene Alkylation Process
A genetic algorithm is used to optimize the modified benzene alkylation process. Based on the previous studies, the modified process increases ethylbenzene selectivity and decreases energy consumption at the same time. The inlet ethylene flow rate of each alkylation reactor is optimized in order to reduce the chance of transalkylation reactions but increase ethylbenzene selectivity. The byprodu...
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چکیده ندارد.
15 صفحه اولThe electron density analysis of Cr(CO)3L complexes (L=benzene and graphyne)
h6-benzne, h6-garphyne) was studied with MPW1PW91 quantum chemical computations. Quantumtheory of atoms in molecules (QTAIM) was applied to elucidate these complexes Cr-CO bonds. Theellipticity (e) and h values of the Cr-CO bonds were calculated. The amount of pp-dp back-donation ofCr-CO bonds were illustrated by calculation of the magnitude of the quadrupole polarization of c...
متن کاملDerivation of ionization energy and electron affinity equations using chemical hardness and absolute electronegativity in isoelectronic series
Chemical hardness () and absolute electronegativity () have important applications in chemistry. Inthe conceptual Density Functional theory (DFT), these concepts has been associated with electronicenergy and the relationship with ionization energy (I) and electron affinity (A) of these concepts hasbeen given. In this study, graphical method was used in order to see the relationship with the ato...
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ژورنال
عنوان ژورنال: International Journal of Quantum Chemistry
سال: 2017
ISSN: 0020-7608,1097-461X
DOI: 10.1002/qua.25504