نتایج جستجو برای: potential function
تعداد نتایج: 2160864 فیلتر نتایج به سال:
the present research was conducted to accomplish two purposes. firstly, it aimed to explore and describe schematic structure or what halliday and hassan (1989, p.64) have called “generic structure potential” (gsp) of american english, iranian persian and iranian english newspaper editorials within systemic functional linguistics. secondly, a quantitative cross-comparison was made to investigate...
in this research we have studied the effect of some transition-metals (cu, ag and au) substitutions on two-electron reduction potential of flavins by application of dft method. all geometries have been optimized at blyp level of theory and “6-31+g** + lanl2dz” mixed basis set. the frequency job at the same method and basis sets has been performed to obtain gibbs free energy of compounds. it h...
The potential function of Lippincott and Schroeder for linear hydrogen bond has been re-examined and extended to nonlinear hydrogen bond. The parameters originally introduced to the potential function by Lippincott and Schroeder have been determined from the structural parameters such as 0.. .Odistance 0-H bond distance, H.. .O distance and HOO angle. Thevalidity of harmonic oscillator appr...
In the present research, the performances of six empirical models, i.e., simple threshold exceedance, fixed proportion exceedance, quadratic function of storage, power function of storage, cubic function of storage, and exponential function of storage were investigated for estimation of groundwater potential recharge in a semi-arid region. First, the FAO Dual Crop procedure was used to calibrat...
In this study, a temperature-dependent of the dispersion coefficients is calculated from equation state.The Lennard-Jones LJ (12-6-3) effective pair potential function and simple thermodynamic argumentwith the input PVT data of liquid metals are used to calculate the dispersion coefficients. The dispersioncoefficients ( , , ) 3 6 12 C C C are found to be a linear function of 1/T1+α , where T is...
Vibration-rotation and pure rotational data in the X2Σ+ ground state and electronic data from the A2Π – X2Σ+ and B2Σ+ − X2Σ+ transitions of CaH and CaD were used in the quantum-mechanical direct-potential-fit (DPF) analysis to determine an analytic potential energy function for the X2Σ+ ground state of CaH, and a radial correction function for the CaD isotopologue. The potential energy function...
In this study, inverse nodal problem is solved for the p-Laplacian operator with two potential functions. We present some asymptotic formulas which have been proved in [17,18] for the eigenvalues, nodal points and nodal lengths, provided that a potential function is unknown. Then, using the nodal points we reconstruct the potential function and its derivatives. We also introduce a solution of i...
A quadratic surface can be fitted to potential-field data within 3×3 windows, which allow us to calculate curvature attributes from its coefficients. Phillips (2007) derived an equation depending on the most negative curvature to obtain the depth and structural index of isolated sources from peak values of special functions. They divided the special functions into two categories: Model-specific...
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