نتایج جستجو برای: ab initiocalculations

تعداد نتایج: 43297  

A. Ezabadi F. Mollaamin Gh.R. Najafi M. Khaleghian M. Mahmoodi Hashemi R. Zhiani

Oximes were oxidized to the corresponding carbonyl compounds in good to high yields by ecofriendlyand green oxidant, H202 catalyzed by Montmorillonite K-10 supported Mangenese(II)Chloride. The structures of these compounds were favorably compared with the results of ab initiocalculations at three temperatures. Computational methods allow for the visualization of largeamounts of structural data ...

Journal: :journal of physical & theoretical chemistry 2008
m. mahmoodi hashemi a. ezabadi gh.r. najafi f. mollaamin m. khaleghian

oximes were oxidized to the corresponding carbonyl compounds in good to high yields by ecofriendlyand green oxidant, h202 catalyzed by montmorillonite k-10 supported mangenese(ii)chloride. the structures of these compounds were favorably compared with the results of ab initiocalculations at three temperatures. computational methods allow for the visualization of largeamounts of structural data ...

Journal: :Journal of Physics B: Atomic, Molecular and Optical Physics 2011

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