In this study, the substituent effect on the electronic, spectroscopic properties and thermodynamic parameters of neutral and oxidized states of ferrocylidene acetophenone complexes was investigated by adopting the hybrid meta exchange-correlation functional of M06-2X. The frontier orbitals and the highest occupied molecular orbitals–lowest unoccupied molecular orbitals gaps of the substituted ...

Measurement of combustion gas by high-energy X-ray Compton scattering is reported. The intensity of Compton-scattered X-rays has shown a position dependence across the flame of the combustion gas, allowing us to estimate the temperature distribution of the combustion flame. The energy spectra of Compton-scattered X-rays have revealed a significant difference across the combustion reaction zone,...

In photosynthesis, the energy of the Sun is absorbed by the light-harvesting antenna and transferred to the reaction center (RC) within several tens of picoseconds. In the RC the solar energy is converted into electrochemical energy by means of a trans-membrane charge separation. Photosynthetic purple bacteria employ a single reaction center. In contrast, in photosynthesis of plants, algae and ...

In this research oxidation kinetic panceuo.s (P.S) by S2O8-2 at the presence of AgNO3 ascatalyst was studied.The method was spectrophotometer following absorption spectrum (P.S) inwave length of 518 nm. After improving the condition such as PH, P.S concentration, K2S2O8concentration, ionic strength, temperature, rate constant, activation energy, constant frequency,order reaction and thermo dyna...

< p>Mg-Fe bi-metal oxide was prepared and utilized as a magnetized renewable solid base catalyst for formation of 2-aminothiophenes by means of Gewald’s reaction. The prepared heterogeneous basic solid catalyst can be separated by a magnet and reused without considerable wastage in this activity. The structure of the aforementioned magnetized basic nano-catalyst was studied by XRD (X-ray diffra...

Hydrothermal carbonization (HTC) is a promising technology used for bioenergy conversion from bio-wastes such as sewage sludge, livestock manure, and food waste. To determine the optimum HTC reaction temperature in maximizing the gross energy recovery efficiency of poultry slaughterhouse sludge cake, a pilot-scale HTC reactor was designed and operated under reaction temperatures of 170, 180, 19...

The crossed molecular beam experiment of the deuterated ethynyl radical (C(2)D; X(2)Sigma(+)) with benzene [C(6)H(6)(X(1)A(1g))] and its fully deuterated analog [C(6)D(6)(X(1)A(1g))] was conducted at a collision energy of 58.1 kJ mol(-1). Our experimental data suggest the formation of the phenylacetylene-d(6) via indirect reactive scattering dynamics through a long-lived reaction intermediate; ...

We utilize classical trajectory calculations to study the reaction dynamics of the dissociative adsorption of H2 on the stepped Pt(211) surface. The potential-energy surface has been obtained through an accurate interpolation of density-functional theory data at the generalized gradient approximation level, using the corrugation reduction procedure. New techniques for visualizing the collective...

Load side management is the basic and significant principle to keeping the balance between generation side and consumption side of electrical power energy. Load side management on typical medium voltage feeder is the power energy consumption control of connected loads with variation of essential parameters that loads do reaction to their variation. Knowing amount of load's reaction to each para...