This program determines the molecular mass of a substance. Enter the molecular formula of the substance. It will calculate the total mass along with the elemental composition and mass of each element in the compound. Use uppercase for the first character in the element and lowercase for the sec...
Enter the molecular formula of the substance. It will calculate the total mass along with the elemental composition and mass of each element in the compound. Use uppercase for the first character in the element and lowercase for the second character. Examples: Fe, Au, Co, Br, C, O, N,...
Hydrotalcite-like anionic clays of general formula [M(II)1–xM(III)x(OH)2]x+[CO3 Umberto,Costantino,Fabio,... - 《European Journal of Inorganic Chemistry》 被引量: 672发表: 1998年 Preparation of xTiO2·(1 x)Al2O3 catalytic supports by the sol-gel method: physical and structural chara...
420 GPa from first principle Yang Ze-Jin1,2, Linghu Rong-Feng3, Gao Qing-He4,5, Xiong Heng-Na1, Xu Zhi-Jun1, Tang Ling1,2, Jia Guo-Zhu6 & Guo Yun-Dong7 The electronic structure and thermodynamical properties of Cr2TiAlC2 are studied by first principles under ...
A new series of heterometallic 3d–4f single molecule magnets (SMMs) of general formula [CrIII2DyIII2(OMe)2(RN{(CH2)2OH}2)2(acac)4(NO3)2] (R = Me, Et,nBu) is reported, displaying slow relaxation of the magnetization and magnetic hysteresis with non-zero coercive fields. Dynamic magn...
Crystal structure of [FeCr2(μ3-O)(CH3COO)6(H2O)3]FeCl4·2(CH3)2CO·CH3OHdoi:10.1016/S0020-1693(00)80735-5William Clegg and O.Mi. Lam and Brian P. StraughanInorganica Chimica Acta
Compound 1 was isolated as a colorless oil that gave a [M+H]+ ion at m/z 477.1504 in the high-resolution electrospray ionization-MS consistent with a molecular formula of C22H24N2O10 (calculated for C22H25N2O10, 477.1509), and displayed the UV and IR spectra as follows; UV (MeOH) λ...
Infrared spectroscopy has been used to characterise synthesised hydrotalcites of formula MgxZn6−xCr2(OH)16(CO3) · 4H2O and NixCo6−xCr2(OH)16(CO3) · 4H2O. The infrared spectra are conveniently subdivided into spectral features based (a) upon the carbonate anion (b) the ...
Enter the formula of a chemical compound to find the oxidation number of each element. A net ionic charge can be specified at the end of the compound between { and }. For example: ZnCl4{2-} or NH2NH3{+}. Enter just an element symbol to show the common and uncommon oxidation states...
3.1. Global and Local Optimization Using Empirical and Ab Initio Energy Functions Global optimizations were performed on the energy landscapes using empirical potentials for various numbers of formula units per simulation cell and for slightly varying ionic radii, yielding a total of 5000 structure candi...