نتایج جستجو برای: calculation molecules

تعداد نتایج: 292643  

Journal: :Controlled clinical trials 2003
Roger P Qu Hongjie Zheng

Exact power and sample size calculation for bioequivalence studies with high order crossover designs using statistical software nQuery are presented. Such calculation can be very easily performed, and thus provides a convenient tool for practical usage.

Journal: :Journal of Chemical Information and Computer Sciences 1995
Ivan Gutman Sandi Klavzar

The Szeged index (Sz) is a recently proposed1q2 structural descriptor, based on the distances of the vertices of the molecular graph. In order to be able to study the properties of this novel topological index it would be advantageous to possess an easy method for its calculation. The calculation of Sz directly from its definition (see below) is quite cumbersome, especially in the case of large...

Curcumin (CUR) is the active curcuminoid with many physiological, biochemical, and pharmacological properties. Solubility and stability of CUR is the limiting factors for realizing its therapeutic potential. Bovine β-casein is an abundant milk protein that is highly amphiphilic and self-assembles into stable micellar nanoparticles in aqueous solution. β-Casein nanoparticle can solubilize CUR mo...

Journal: :Journal of biopharmaceutical statistics 2005
Hansheng Wang Shein-Chung Chow Murphy Chen

In clinical research, parameters required for sample size calculation are usually unknown. A typical approach is to use estimates from some pilot studies as the true parameters in the calculation. This approach, however, does not take into consideration sampling error. Thus, the resulting sample size could be misleading if the sampling error is substantial. As an alternative, we suggest a Bayes...

Journal: :iranian journal of chemistry and chemical engineering (ijcce) 2012
hojat majedifa, reza islampour

this work deals with the calculation of franck-condon factors using hua potential function for the first time. the advantages of this function have been mentioned, and the numerical methods are used to obtain franck-condon factors for the following band systems: agreement between the values of this work and those obtained from other works is quite good that verifies the reliability of the prese...

2012
Katsumi NAKAGAWA

DV-Xα method uses natural and high grade numerical AOs, which generate very precise MOs for a wide variety of molecules within the restriction of LCAO approximation. But Monte-Carlo integration used here causes serious numerical errors for total energy and energy gradient calculation. The author improved their calculation procedure, where the numerical error in physical quantity of a molecule i...

Journal: :iranian journal of health sciences 0
hamed tabesh department of biostatistics and epidemiology, school of health, ahvaz jundishapur university of medical sciences, ahvaz, iran azadeh saki department of biostatistics and epidemiology, school of health, ahvaz jundishapur university of medical sciences, ahvaz, iran fatemeh pourmotahari department of biostatistics and epidemiology, school of health, ahvaz jundishapur university of medical sciences, ahvaz, iran

background and purpose: sample size and its determination is one of the most important problems in health researches. calculating sample size for prevalence studies is one of the common questions of sample size topics. minimum sample size with least complexity is desirable in order to achieve the basic goal of these studies. this study aims to compare two formulas of sample size calculation for...

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