نتایج جستجو برای: classical transition state
تعداد نتایج: 1232531 فیلتر نتایج به سال:
Thermal rearrangement of 7,7-dichloro-[a,c]-dibenzo-[4,1,0]-bicycloheptane (1) to 5,6-dichloro-5Hdibenzo-[a,c]-cycloheptene (2) was studied in the solid phase and in solvents with different polarities. Thefirst-order constants at various temperatures for the rearrangement process were evaluated from theabsorption time data. The activation parameters for this rearrangement were obtained from the...
Single phase polycrystalline Gd1-xPrxBa2Cu3O7-δ samples with x=0.05 , 0.10, and 0.15 have been prepared by standard solid state reaction technique and characterized by XRD and SEM analysis. The electrical resistivity, Hall effect and magnetoresistance measurements have been on the samples. The electrical resistivity measurements indicate a reduction of transition temperature (Tc) and an incre...
Background: After primary infection, the number of CD4 T-cells decreases with disease progress. The patient’s immunological status could inform by The CD4 T-cell counts over the time. The main purpose of this study is to assess the trend of CD4 cell count in HIV+ patient that received Antiretroviral Therapy (ART) by using a multistate Markov model to estimate transition intensities and transiti...
In this paper, we have implemented a three-body formalism, where the interaction potential is replaced by the transition matrix, in the excitation channel for the collision of positron and atomic hydrogen. Differential and total cross sections are calculated while the first and second order terms of the FWL (Faddeev-Watson-Lovelace) series in the transition from ground state to the first excite...
The interpretation of folding rates is often rationalized within the context of transition state theory. This means that the reaction rate is linked to an activation barrier, the height of which is determined by the free energy difference between a ground state (the starting point) and an apparent transition state. Changes in the folding kinetics are thus caused by effects on either the ground ...
The reaction mechanism between (H2C) and (7, 0), zigzag single-walled carbon nanotubes(ZSWCNTs) on two different orientation of C-C have been studied by semi empirical AM!method. The activation barriers of (H2C) adding to (7, 0) ZSWCNT are computed and compared.The effects of diameters of zigzag SWCNT on their binding energies were studied
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