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Windows version of Gaussian feasibility for single-processor or multi-processor support. A 32-bit single CPU as well as the Light version is available to researchers who have IM extensions, such as 09IM.
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Gaussian great ability in modeling the structure of the electronic version of the Windows software has the w extension (like 09w) as well as for power pc software-based Macs will have the suffix m. Professor Pople and his students use the capabilities of this software good research in quantum chemistry and other branches did not represent the practical application of this product. The program by Professor John Pople and his research team at Carnegie Mellon University was built. It’s the first version was released in 1970, but over time became one of the most famous in the field of computational chemistry. Working with Gaussian 09W D.01 full licenseĭescription: Gaussian software for computational chemists. We used GAUSSIAN 09W program to do theoretical investigations by considering the Density Functional Theory (DFT) method to calculate quantum parameters as E HOMO, E LUMO, ∆E HOMO-E LUMO and μ dipolar moment that allows us to confirm experimental results obtained from gravimetric and electrochemical studies.Download Gaussian 09W D.01 x86 full license 100% working forever Link download Gaussian 09W D.01 win32 full cracked forever We conclude from polarization curves that all the ligands are mixed type inhibitors (anodic and cathodic type inhibitors), and from the impedance diagrams in the Nyquist presentation which are in the form of one half loop because that the corrosion is controlled by charge transfer process. Weight loss measurement give us the inhibition efficiencies values reached 80.2 % for 2Fpyr1 and 77.3 % for 2Fpyr 2 at the concentration 10 -3, then by changing the temperature from 313K to 343 K, which give us the activation and adsorption parameters, and we reveal from it that the ligands 2Fpyr 1 were adsorbed according to Langmuir Isotherm, but 2Fpyr 2 were was adsorbed according to El-Awady adsorption Isotherm, we obtain these results using certain isotherms as Langmuir, Freundlich, Temkin, Frumkin, Florry-Huggins, Adejo-Ekwenchi and El-Awady.
Then we applied them against corrosion of mild steel in HCl 1M solution. Two tripodal pyrazolic ligands: N,N-bis((3,5-diméthyl-1H-pyrazol-1-yl)methy)-2,4-difluoroaniline ( 2Fpyr 1) and N,N-bis((1H-pyrazol-1-yl)methyl)-2,4-difluoroaniline ( 2Fpyr 2) were synthetized in good yiels.
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