The molecular geometry of crystalline 1-chlorosilatrane is computed at the self-consistent field (SCF) and density functional theory (DFT) levels of theory... Dillen,Jan - 《Journal of Physical Chemistry A》 被引量: 11发表: 2004年 An ab initio study of bonding trends in the series BO 3...
and the relrod shape is slightly different in a cross-sectional sample. The film thickness (along the [001] direction) is about 200 nm and the grain width (along the [010] direction) is about 30 nm. Therefore, the relrod has a thin disk...
Ca(NO3)2-NaNO3/expanded graphite composite as a novel shape-stable phase change material for mid- to high-temperature thermal energy storageRenYunxiuXuChaoYuanMengdiYeFengJuXingingentaconnectEnergy Conversion & Management
Prior to deposition, the chamber was evacuated to 5 × 10−6 mbar by a turbomolecular pump. The deposition rate of GMO was estimated to be around 2 nm/min. During film deposition, the pressure inside the chamber was adjusted to 5 × 10−2 mbar, with a gas composition ...
If this is the case, the ability of the ligation of molecular oxygen to a central Cu ion as well as the ability of the electron donation from the Cu ion to ligated molecular oxygen is an important step in the cleavage reaction. A similar conclusion can be drawn from the LD measurements....
Molecular processes induced in primed seeds: increasing the potential to stabilize crop yields under drought conditions. J. Plant Physiol. 203, 116–126 (2016). 38. Wang, W. et al. Pre-sowing seed treatments in direct-seeded early rice: consequences for emergence, seedling growth and associ-...
Cite this chapter Niraj Kumari, Mudit Dixit, Herbert W. Roesky& Lallan Mishra Abstract The precursor complexes of composition [Cu(bpy)2(H2O)](PF6)21and [Cu(bpy)2(NCS)](PF6)2(bpy = 2,2′-bipyridine) were initially prepared and characterized using spectroscopic (IR, UV-vis, ESR, Emission...
Also, the average intramolecular OH distance was found to be only roll =0.72 A and the average intra- molecular HH distance only rHn = 1.18 A, while these values usually are a few tenths of an A higher in most crystalline hydrates (Reeves, 1969).A method to improve hydrogen positions ...
Furthermore, theoretical studies have predicted remarkable properties of stannate-based heterostructures includ- ing hybrid improper ferroelectricity achieved through engineering of the octahedral tilting modes in bicolor d(A2eSDvniEcOeG3s/sbA)eaSitnnigOnet3ev(riAfdae=cneCtslyab,esSotwrg,erBeeana)...
1e). The new structural phase and the corresponding high-resistance state are stable upon reduction of Vp until, at large enough negative voltages, the low resistance state and original perovskite structure are re-established ((4) in Fig. 1a,g). The switching process is thus bipolar and non...