نتایج جستجو برای: pair potential
تعداد نتایج: 1175810 فیلتر نتایج به سال:
in this thesis we will present three topics. we define approximate fixed points in fuzzy normed spaces. also we obtain some necessary and sufficient conditions on the existence of? -fixed points for ? > 0. at the continue some results about approximate fixed points for a class of non-expansive maps on g-metric spaces are obtained and we define approximate fixed points in partial metric spa...
hf level of ab initio calculations with basis-set 6-31g including full counterpoise correction hasbeen applied to compute the asphis potential with the ser and hisser potential with the asp inasphisser trimer. the potential energy surface has a minimum of -16.765 kcal/mol in r1=1.912nm and r2=2.719 nm. the optimum computed curves for two interactions were fitted withintermolecular pair potentia...
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...
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...
an injective map f : e(g) → {±1, ±2, · · · , ±q} is said to be an edge pair sum labeling of a graph g(p, q) if the induced vertex function f*: v (g) → z − {0} defined by f*(v) = (sigma e∈ev) f (e) is one-one, where ev denotes the set of edges in g that are incident with a vetex v and f*(v (g)) is either of the form {±k1, ±k2, · · · , ±kp/2} or {±k1, ±k2, · · · , ±k(p−1)/2} u {k(p+1)/2} accordin...
HF level of ab initio calculations with basis-set 6-31G including full counterpoise correction hasbeen applied to compute the AspHis potential with the Ser and HisSer potential with the Asp inAspHisSer trimer. The potential energy surface has a minimum of -16.765 kcal/mol in R1=1.912nm and R2=2.719 nm. The optimum computed curves for two interactions were fitted withintermolecular pair potentia...
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...
Given a potential of pair interaction and a value of activity, one can consider the Gibbs distribution in a finite domain Λ ⊂ Z. It is well known that for small values of activity there exist the infinite volume (Λ → Z) limiting Gibbs distribution and the infinite volume correlation functions. In this paper we consider the converse problem we show that given ρ1 and ρ2(x), where ρ1 is a constant...
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