IR spectra of entrance and exit channels of methane and radical oxygen reaction are predicted in the ground state energy. Ab initio calculations at perturbation theory (MP2) with Dunning correction- consistent basis set (aug-cc-pVDZ) have been used. The calculations predicted structures, vibrational frequencies and potential energy surface. Three van der Waals minima from three adiabatic potential energy surfaces have been predicted in entrance and exit channels. Vibration frequency of 3209 cm-1 and 3212 cm-1 of C-H stretching in entrance structures are predicted while O-H vibrational frequency is predicted to be at 3673 cm-1 in the other channel. The lowest energy structure in entrance channel has - 0.18 kJ/ mol minimum energy.
The aim of this work is to a connection between two concepts which are an interval value fuzzy set and a hyper AT-algebra. Also, some properties of these concepts are found. The notions of IVF hyper AT-subalgebras, IVF hyper ideals and IVF hyper AT-ideals are defined. Then IVF (weak, strong) hyper ideals and IVF (weak, strong) hyper AT-ideals are discussed. After that, some relations among these ideals are presented and some interesting theorems are proved.
Electron Transfer reaction rate constants at Semiconductor / Liquid interfaces are calculated dy using the Fermi Golden Rule for Semiconductor. The reorganization energy   eVï„ is computed for Semiconductor / Liquid Interfaces system in two solvents and compared with experimental value. The driving force (free energy) ΔGo(eV) is calculated depending on spectrum Ru(H2L`)2 (NCS)2 . The transfer is treated according with weak coupling (nonadiabatic) for two – state level between the Semiconductor and acceptor molecule state.
The present work has been characterized by higher order modes in the cavities of the Gyrotron; they are capable of producing RF plasma by developments of it. It uses for fusion systems. We choose the TE31,8 mode in our study. The main problem of gyrotron is the device of the thermal cavity loading. The problem of the thermal loading is solved when any parasitic modes suppress, absence of desired modes; the thermal loading is increased when the high power tube of gyrotron operation is unstable. The mathematical interaction model contains equations that describe the electron motion and the field profiles of the transferred electric modes of the resonator, these are interacting with electrons based
... Show MoreStudents at secondary school, particularly at the beginning of their academic lives face many difficulties and problems in various psychological, educational, and social fields, which require them to make many decisions and solve problems that may confront them while maintaining their optimism and positivity for life in general and for academic life in particular. Thus, the current study aims to investigate the academic optimism of distinguished students and identify the differences in academic optimism in terms of gender. The researcher applied the scale to a sample of (336) students, (145) males, and (191) females, who were chosen randomly from distinguished schools. In order to achieve the research objectives, the researcher adopted t
... Show MorePresent research is aimed knowing of smart thinking for secondary schools' students. and discover statistically significant differences in Smart Thinking due to the couple variables of (Gender – Branch)
For the purpose of verification of the aims of the research, the researcher has prepared a smart thinking scale, the scale has been applied on sample of secondary schools' students for both Branches (Scientific & Literary One).It was contingent (500) student male and female were chosen stratified random method.
After data analyze the reached results: The Preparatory fourth grade students have smart thinking. Female smart thinking enjoy a much higher degree than males. and Scientific branch students enjoy thinking and much high
Charge transfer (CT) at liquid/liquid interfaces are described theoretically depending on the quantum theory .A model that derived used to calculate the rate constant of transport at liquid/liquid interfaces. The calculation of the rate constant of charge transfer depends on the calculation of the reorganization energy, driving force ,and the coupling coefficient . Large reorganization energies and large rate constant for charge transfer ,indicate that the transitions involve more energy to happen . The system have large ð¸0 (ð‘’ð‘‰) refers that type of liquid is more reactive media than other liquid types with same d
... Show MoreThe characteristics of atmospheric-pressure glow discharge (APGD) produced by rod-plate electrodes are experimentally determined. APGD is sustained by applying a high DC voltage between the electrodes. At atmospheric pressure, the shift from corona discharge to glow discharge is investigated. A rod-plate discharges configuration's volt–ampere properties show the existence of three discharge regimes: corona, glow, and spark. The variations in the electrical field distribution in the various regimes are mirrored in the discharge luminosity. The rod-plate patterns are created under a dark region, and are visible mainly due to the effect of electrons heated by the local enhanced electric field at the interface, according to the op
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This research aims to identify the role of Psychological Capital (PsyCap) in the Spirituality at the Workplace (SAW) for a sample of the teaching staff of the four Colleges of the University of Kufa reached (200) out of (470) teaching, and to achieve the objective of this research and through access to research and studies of foreign adopted researchers standards scales of research variables, since it relied on the model (Luthans, Youssef, et al., 2007) to represent the components of Psychological Capital (self-efficacy, and hope, and optimism, and resilience), and given the attention organizations in the human element because of it
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