نتایج جستجو برای: gaussian 98

تعداد نتایج: 136483  

2006
E DAVIES T GIBSON

In a prospective study of 185 players attached to 10 British rugby clubs, 151 injuries were recorded among 98 of them (53%) during a single season. Forwards sustained significantly more injuries than backs. The standard of rugby, players' body weights, degree of fitness, and presence of joint hypermobility did not affect the risk of injury. The leg was the most common site of injury. Head and n...

 Spatial generalized linear mixed models are used commonly for modelling non-Gaussian discrete spatial responses. We present an algorithm for parameter estimation of the models using Laplace approximation of likelihood function. In these models, the spatial correlation structure of data is carried out by random effects or latent variables. In most spatial analysis, it is assumed that rando...

E. Pournamdari P. Aberomand Azar S. Abedini Khorrami Sh. Moradi

The intermolecular forces between water molecules are of great importance in many areas of chemistry including solvation, solution chemistry, and biochemistry. As a result of this (H2O)n systems have received a great significant of attention, both experimental and theoretical. All calculation of this study are carried out by Gaussian 98 soft ware. Geometry optimization for each cluster were be ...

Esmat Mohammadinasab

Topological indices are one of the oldest and most widely used descriptors in Quantitative StructureProperties Relationvhips (QSPR). Amongst the topological indices used a,s descriptors in QSPIC., the Wienerindex is by far the most popular index. as it has been shown that the Wiener index has a strong correlationwith the chemical propenies of the compound.In this study, the relationship between...

F. Naderi K. Bakhshi M. Monajjemi M. Yari

Quaternary ammonium compounds (QACS) are employed both as disinfectants for manual processing lines and surfaces in the food industry, and in human medicine area. QACS also cause cell death by protein denaturation . One of the QAC is cetyl trimethyl ammonium bromide (CTAB) that appears to rapture the cell membrane. The primary site of action of CTAB has been suggested to be the lipid components...

A. Shakibfar Sh. Ghammamy,

A new mixed  halo chromate  nanoparticle compound was synthesised and characterized. Triphenylphosphonium trifluoroiodochromate (III)[P(C6H5)3H]+[CrF3I]- nanoparticle was synthesized by using triphenylphosphonium  iodide reaction with CrF3, in the presence of  3-mercaptopropionic acid. This method is a simple and direc...

Arash Sarmad

In this research work at The first compounds [C60- 2-(naftalin-1-ilmetil)-4,5-dihidro-1H-imidazol-C65-2X]+ (X=F,Cl,Br) were optimized. Then the calculation of natural bond orbitals was performed with the NBO technique. All calculations using Hartree- fock  the 6-31G * basis set using Gaussian 98 software and in gas phase has been done. The results showed that the energy levels of mol...

Shohreh Nikandish

Tetryzoline(TH) is an adrenergic agent (vasoconstrictors) and derived from imidazoline. This compound is closely related to naphazoline hydrochloride in its pharmacological action. Nanotechnology has been used to provide advanced biomedical research tools in drug delivery. The fullerene family especially C60 derivatives have appealing photo-, electro-chemical and physical properties for biomedi...

M. Ahmadianarog M. Monajjemi

Sulforaphane, an isothiocyanate found in broccoli and other cruciferous vegetables. it is an antioxidantand anti-cancer agent, and reduces blood pressure, and also has anti-allergic Effects.In this article, six theoretical methods have been used for calculation of physical parameters insolforaphane and several similar compounds. We calculated physical parameters like atomic charges.energy (AE) ...

A. Shakibfar Sh. Ghammamy,

A new mixed  halo chromate  nanoparticle compound was synthesised and characterized. Triphenylphosphonium trifluoroiodochromate (III)[P(C6H5)3H]+[CrF3I]- nanoparticle was synthesized by using triphenylphosphonium  iodide reaction with CrF3, in the presence of  3-mercaptopropionic acid. This method is a simple and direc...

نمودار تعداد نتایج جستجو در هر سال

با کلیک روی نمودار نتایج را به سال انتشار فیلتر کنید