We extend the McPherson model for Si-O bond-breakage energetics, which considers only a single SiO_4 tetrahedron, in a way to capture the effect of the whole crystal. No ledge in the direction assumed in the McPherson model was revealed. Instead, potential profiles feature a saddle point in...
N. KHIARLab. Stereochim. Organomet., EHICS, 67008 Strasbourg, FranceJohn Wiley & Sons, LtdChemInformSolladie-Cavallo, A. & Khiar, N. Methylammonium Fluoride (MAF): A convenient reagent for Si-O bond cleavage. Synth. Commun. 19, 1335-1340 (1989)....
bondandsilicon- terminaloxygen(Si—O ) bond isstudied with CNDO/2 calculationmethod.Thecone】uslonsare: 1) ThecharactersofSi—Obondsare almost complete]y determined by IsSN 舢 一4734 收稿日期 1989年6月 · 国家自然科学基金资巨6谭茸
Bond lengths and angles are found to be within a few per cent of the observed values. A 4% expansion of the Si–O bonds in disiloxane is sufficient on energy grounds to allow hydrolysis to occur. These results are used to support the Griggs-Blacic-Frank models of hydrolytic weakening in...
we come tothe conclusion that the total energy Ein silicates can be broken up into the energies of building-up units or the bicentral energies of bonding atoms because of"the location of electrons".As a consequence of that,we get the idea that Si—Obond is stronger than Si—Obond.The...
Si-O键分子动力学键断裂事件从头算α石英结构缺陷能带计算The Si–O bond breaking event in the α-quartz at the first triplet (T1) excitation state is studied by using ab initio molecular dynamics (AIMD) and nudged elastic band calculations. A meta-stable non-bridging oxygen hole center and E′...
the Si-O bond was found to be of minor importance, while the ionic character of the bond is...
Synthesis of Imidazo[1,2‐a]pyridines: C‐H Functionalization in the Direction of C‐S Bond Formation Imidazo[1,2-a]pyridines play an important role in medicinal chemistry. In spite of very drastic developments on syntheses and functionalization in this are... C Ravi,S Adimurthy - 《Chemical...
近日,渤海大学化学与材料工程学院杨姝宜副教授为第一作者,程颖硕士研究生为第二作者,鄂涛教授为通讯作者的研究成果《Construction Si-O-Mo bond via etching method: enhancing selective adsorption capacity of MoS2/montmorillonite t...
Nevertheless, the value of the ideal strength (that is determined by the strength of the Si-O bond) may be considered as a reasonable approximation.doi:10.1007/BF01117617V. S. YushchenkoE. D. ShchukinM. HotokkaKluwer Academic PublishersJournal of Materials Science...