theoretical calculation
Theoretical Calculation of the Low Lying Electronic States of the Molecule BaS
... of theoretical calculation of higher excited states of the molecule BaS stimulate us to investigate, in the present work, more extensive ab initio calculation of barium sulfides ...previous ...
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Synthesis, morphology and theoretical calculation of 1H benzotriazole aceto hydrazide
... 1H-benzotriazole aceto-hydrazide(BAH) was synthesized from 1H-Benzotriazole, chloroacetic acid, ethanol and hydrazine using liquid-phase method. The structure of BAH was characterized by FT-IR, 1 H NMR. The studies on ...
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Theoretical Calculation of the Low Lying Electronic States of the Molecule PbO
... present theoretical study of the PbO ...of calculation the potential energy curves and the static dipole moments of the low-lying elec- tronic states of the molecule PbO were generated using the MRSDCI+Q ...
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Theoretical Calculation of Positron Lifetimes in CoAl and CoTi
... Positron annihilation spectroscopy is a sensitive tool for vacancy-type defects in solids. In a perfect crystal, the positron wave function is delocalized in the interstitial region because of the repulsion from the ion ...
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Theoretical Calculation of the Low Lying Electronic States of the Molecule ScSe
... all agreement between our calculated values of the spectroscopic constants for the ground states and those of Wu et al. [8] and the agreement between the positions of avoided crossing of the PECs and the crossing of the ...
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Theoretical Calculation of Thermodynamic Properties of Refractory Metals Using A Semi-Emperical Interatomic Potential
... Similarly, we extended the modified analytical embedded atom method, MAEAM to the study of interatomic potentials for body centred cubic (bcc) transition metals (Popoola et al, 2017). Some thermodynamic properties of ...
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Theoretical Calculation of Activation Free Energy for Self Diffusion in Prototype Crystal
... the calculation of the free energy at the equilibrium states, we integrate over all vibrational states, including 3N 3 degree of freedoms (3 is due to rigid body ...
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Quantification of –holes and their use as a descriptor for the theoretical calculation of pKa values for carboxylic acids
... Toluca–Atlacomulco km 14.5, Unidad San Cayetano, Personal de la UNAM, Toluca 50200, Estado de M´exico, M´exico. ∗ Correspondence: [email protected]; Tel.: +52-722-2766610 Ext 7754[r] ...
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A theoretical calculation of the cosmological constant based on the theory of vacuum mechanics
... The zero-point energy of electromagnetic fields will not appear as a source term in the generalized Einstein’s equations.. Some people believed that all kinds of energies should appear as[r] ...
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1 Quantification of –holes and their use as a 2 descriptor for the theoretical calculation of p Ka values
... Maximum surface electrostatic potential, V S,max , over the acidic hydrogen atom shown for.. 110.[r] ...
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INTERNAL COMPTON EFFECT EUR 152 e
... In this paper an experimental check on the internal Compton effect I.C.E.. The results are in satisfactory agreement with the theoretical calculation of Spruch and Goertzel..[r] ...
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6 Nitro 1 deazapurine
... A theoretical calculation with the ADF program (te Velde et ...SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands, http:// ...
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Performance analysis and test of a maize inter-row self-propelled thermal fogger chassis
... the theoretical calculation and agronomic requirements for maize planting, the structure and working principles of the self-propelled thermal fogger chassis were ...
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REVIEW OF VARIOUS THIN HEAT SPREADER VAPOR CHAMBER DESIGNS, PERFORMANCE, LIFETIME RELIABILITY AND APPLICATION
... (i) Theoretical calculation for heat transfer limits for case study; (ii) A review and comparison on the structural design and thermal performance of various thin vapor chambers on development or available ...
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All-Optical Delay Module Using Cascaded Polymer All-Pass-Filter Ring Resonators
... maximum theoretical delays (Figure 5) at the center resonant ...the theoretical calculation is performed assuming the coupling ratio to be ...
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Study on the Temperature of the Bridge Wire in the Initiator Used in Nuclear Explosion Valve
... From the comparison of theoretical calculation, simulation and experimental results, we can see that the results are similar. The temperature of bridge wire increases as the input current increases. The ...
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Design and Optimization Techniques Used in Horizontal Openwell Submersible Pump
... • There is 3% approximately improvement through theoretical calculation. Also by analysis method using fluent the pump discharge capacity is calculated and the results of the analysis shows the improvement ...
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Theoretical Study with Rovibrational and Dipole Moment Calculation of the SiO Molecule
... previous theoretical calculation [14-23], we performed an ab initio study of the low-lying electronic states of the molecule SiO below 132,500 cm –1 ...
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Study on Coal Methane Adsorption Behavior Under Variation Temperature and Pressure-Taking Xia-Yu-Kou Coal for Example
... changing theoretical calculation value of the coal’s adsorption amount under variable temperature and pressure conditions, the parameter calculation of LI temperature pressure adsorption equation in ...
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A temperature gradient based Condition Estimation Method for IGBT Module
... Firstly, theoretical basis of this method is presented and the results from example calculation on temperature gradient indicate that the increased thermal resistance and power loss of IGBT modules would ...
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