نتایج جستجو برای: transition metal atoms

تعداد نتایج: 486890  

Journal: :Dalton transactions 2008
Hongsheng Liu Carlos J Gómez-García Jun Peng Jingquan Sha Yangguang Li Yechao Yan

Three new organic-inorganic hybrid complexes based on 3d-transition metal monosubstituted Keggin polyoxometalates (POMs) with imidazole (Im) as pendant ligands, formulated as (HIm)(6-)[SiW11O39NiIm]0.8[SiW11O39Ni(H2O)]0.2.7H2O (1), (Im)4Na6[SiW11O39MnIm]0.69[SiW11O39Mn(H2O)]0.31.7.5H2O (2) and (HIm)6[SiW11O39CoIm]0.63[SiW11O39Co(H2O)]0.37.7H2O (3), have been synthesized and characterized by IR ...

L. Abdollahi M. A. Rezvani, M. Ali Nia Asli M. Oveisi

Transition-metal-substituted  (TMS)  polyoxometalates  of  the  general  formula  [SiW9M3O39], (where M = first row transition metal), has been synthesized and supported on anatase by sol–gel method under oil-bath condition. The tetrabutylammonium (TBA) salts of the Keggin-type polyoxotungstates  [SiW9M3O39],  (M = VII, CrII, MnII,  FeII CoII  and NiII),  proved  to  be  green, reusable,  and  ...

Journal: :The Journal of chemical physics 2011
Kalpataru Pradhan Gennady L Gutsev Charles A Weatherford Purusottam Jena

Using density functional theory with generalized gradient approximation, we have performed a systematic study of the structure and properties of neutral and charged trioxides (MO(3)) and tetraoxides (MO(4)) of the 3d-metal atoms. The results of our calculations revealed a number of interesting features when moving along the 3d-metal series. (1) Geometrical configurations of the lowest total ene...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه یاسوج - دانشکده علوم 1391

in this investigation the effect of external field on the electron density of nanostructures of cds, cdse, cdte, gaas and polymeric structure of three, four, five and six units of cds as a kind of nanosolar cells has been studied theoretically. as modeling this system in nanodimension, molecular structures has used. specific properties of molecular structures permit us to consider different sym...

Structural and electronic properties of double perovskites Sr2BWO6 (B = Co, Ni, Cu)  were studied  for each of three magnetic configurations nonmagnetic, ferromagnetic, and antiferromagnetic by using density functional theory in generalized gradient approximations (GGA) and strong correlation correction (GGA + U). Due to magnetic transition from antiferromagnetic to nonmagnetic phase, an electr...

2014
David W. Flaherty David D. Hibbitts Elif I. Gürbüz Enrique Iglesia

Ethane hydrogenolysis involves C–C bond rupture in unsaturated species in quasi-equilibrium with gaseous reactants and H 2 on metal clusters, because C–C bonds weaken as C-atoms replace hydrogen with exposed metal atoms from catalyst surfaces. The nature and reactivity of such adsorbed species are probed here using kinetic data and density functional theory (DFT) for the case of Ir surfaces, bu...

Journal: :Genome research 2011
Wuxian Shi Marco Punta Jen Bohon J Michael Sauder Rhijuta D'Mello Mike Sullivan John Toomey Don Abel Marco Lippi Andrea Passerini Paolo Frasconi Stephen K Burley Burkhard Rost Mark R Chance

High-throughput X-ray absorption spectroscopy was used to measure transition metal content based on quantitative detection of X-ray fluorescence signals for 3879 purified proteins from several hundred different protein families generated by the New York SGX Research Center for Structural Genomics. Approximately 9% of the proteins analyzed showed the presence of transition metal atoms (Zn, Cu, N...

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