نتایج جستجو برای: f and cl
تعداد نتایج: 16868890 فیلتر نتایج به سال:
Hammett constants (σ) can be important factor to understanding substitution and position effects on benzoic acid. This report describes a computational study of ∆G◦ and σ for six substituted benzoic acid (X= F,Cl ,OH ,NH2 ,CN,NO2 )and phenylacetic acid substituted (X=OH ,NH2 ) at para and meta positions ingas and aqueousphases by DFT method and comparesit to available experimental and theoretic...
PURPOSE We assessed the effect of baseline patient demographic and disease characteristics on the crizotinib pharmacokinetic parameters oral clearance (CL/F), volume of distribution (V2/F), and area under the curve at steady state (AUCss) following multiple crizotinib 250-mg twice-daily dosing in patients with ALK-positive cancer. EXPERIMENTAL DESIGN A pharmacokinetic model was fit to data fr...
کمّی کردن کایرالیته و یافتن یک شاخص به دلیل کاربرد آن در حل بسیاری از مسائل شیمی سنتز، کاتالیز، داروسازی و علم مواد و امروزه به دلیل اهمیت آن در پیش بینی میزان چرخش نوری و استفاده در علوم و فناوری نانو، مورد توجه روزافزون محققان قرارگرفته است. بیشتر تلاش های صورت گرفته برای کمّی سازی کایرالیته براساس تقارن هسته ای استوار بوده است اما از آنجاکه بیشتر ویژگی های مولکولی وابسته به توزیع چگالی الکترون...
The pharmacokinetics of lopinavir were investigated by the use of a population approach performed with the nonlinear mixed effect modeling program NONMEM and 157 children ranging in age from 3 days to 18 years. The pharmacokinetics of lopinavir were well described by a one-compartment model in which the absorption and the elimination rate constants were equal. Typical population estimates of th...
Maxwell equation ∂F = 0 for F ∈ sec ∧2 M ⊂ sec Cl(M), where Cl(M) is the Clifford bundle of differential forms, have subluminal and superluminal solutions characterized by F 2 6= 0. We can write F = ψγ21ψ̃ where ψ ∈ sec Cl(M). We can show that ψ satisfies a non linear DiracHestenes Equation (NLDHE). Under reasonable assumptions we can reduce the NLDHE to the linear Dirac-Hestenes Equation (DHE)....
The character of the intermolecular interactions in Cl2-HX (X =F, Cl and Br) complexes has been investigated by means of the second-order Möller–Plesset perturbation theory (MP2) and the density functional theory (DFT) calculations. The results show that there are two types of lowest interaction potential equilibrium structures in the interactions between Cl2 and HX: X∙∙∙Cl type geometry and hy...
Dynamical properties of F –water and Cl –water hydrogen bond molecular dynamics simulations, in which the whole first hydration D95V+, 6-31+G and D95V++ basis sets for F , Cl and water, respe and shifts in the corresponding bending and stretching frequencies as ing the ions, F clearly acts as a structure-maker , while Cl solvat ments of the hydrogen bonds. 2005 Elsevier B.V. All rights reserved.
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