Many of the physical and chemical properties of water are due to its structure. The atoms in the water molecule are arranged with the two H–O bonds at an angle of about 105° rather than on directly opposite sides of the oxygen atom. The asymmetrical shape of the molecule arises from a...
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H2O@C60 is a remarkable molecule that consists of a polar molecule encapsulated into a highly symmetric and nonpolar cage. For H2O@C60, the polarity is no longer associated with its external shape. The encapsulated water molecule can rotate freely around the center inside the cage. In this ...
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The geometry and modes of internal motion are analyzed by the shape density function. The results are E = —76.07 a.u, Rho = 0.970 A and ZHOH = 105.38°. These results are compared with some known calculations and experimental values.Guo-Chun Qiu...
第30卷第9期2014年9月无机化学学报CHINESEJOURNALOFINORGANICCHEMISTRYV01.30No.92189.2196La回、Nd(m)与甜菜碱类衍生物形成的包含(H2o)6分子簇的配合物的晶体结构周业芳1李松林,刘雪佳2(天津大学理学院化学系,天津300072)(北京航空材料研究院,北京100095)摘要:利用配体1,5---(3一羧基吡啶基).Ⅳ.甲基二乙胺(L)...
A simpler way of obtaining a floating wavefunction which satisfies the Hellman-Feynman theorem is applied to elucidate quantiatively the force and density origin of the molecular shape of H2O. It is confirmed that the previous concept of the electrostatic force theory correctly grasps the origin of...
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and H2O+transitions are due to cooler gas that is located in front of, and irradiated by, a warmer background source that is emitting the infrared continuum light that also excites the higher-level H2O emission lines11,29. We therefore adopt the same geometry for the modelling in this work...
materialsandtheirfascinatingarchitectures⋯.Inthelastdecade,lotsofmetal-·directedsupramolecularcomplexeswithva-·riousstructuralmotifsincludingmolecularladder,helicates,honeycomb,brickwall,grid,T—shape,dia—mondoidandoctahedralgeometrieshavebeenpro—ducedbycarefulselectionoforganicligandsandmetalcentersSystematicandelega...