Density functional theory calculations (DFT), as well as hybrid methods (B3LYP) for B _(18)N _(18)-[CoF _6] ~(3-) complex have been carried out to study the non-bonded interaction. The geometry of the B _(18)N _(18) has been optimized at B3LYP method with EPR-II basis set ...
Density functional theory calculations (DFT), as well as hybrid methods (B3LYP) for B18N18-[CoF6]3− complex have been carried out to study the non-bonded interaction. The geometry of the B18N18 has been optimized at B3LYP method with EPR-II basis set and geometry of the [CoF6]3−...
In order to address this question for 2D COFs, different contributions from all rings need to be analyzed. Our study here focuses on the induced ring current of a single 2D COF pore rather than all kinds of local ring currents, because we are interested in the characterization of global\pi-...
This is the first direct observation indicating that the silicon valence electrons in 3s and 3p orbitals are transferred to the 3d orbitals at high density which proves that electrons of compressed elemental solids migrate from their native bonding configuration to interstitial regions. 漏 2013 ...
In this configuration, the Y atoms gather together at the same plane as much as possible. Thus, it is could be assumed the interaction between same halogen atoms (X-X or Y-Y) or different halogen atoms (X-Y) lead the variation of total energy per cell, as well as the variation of ...
FIG.2is a view illustrating another example of the configuration of an electronic device according to an embodiment of the disclosure; FIG.3Ais a view illustrating a method for controlling a display according to an embodiment of the disclosure; ...
The time-traces of the δR/R(ω,t) scans at 1.5 eV probe energy (Fig. 2) exactly reproduce the time-resolved reflectivi- ties obtained in the standard single-colour configuration29,30, that is, with fixed probe wavelength. The sudden increase of the decay time in the superconducting ...
& Yi, Z. Enhanced Configuration. Chem-Eur J 20, Ethylene Photodegradation 17590–17596 (2014). Performance of g-C3N4-Ag3PO4 Composites with Direct 41. Dong, C., Wu, K. L., Li, M. photocatalytic activity. Catal. R., Liu, L. & Wei, X. W. Synthesis Commun 46, 32–35 (2014)...
FIG. 1 is a diagram illustrating an example of a configuration of an electronic device according to an embodiment of the disclosure; FIG. 2 is a view illustrating another example of the configuration of an electronic device according to an embodiment of the disclosure; FIG. 3A is a view illu...
Even in the case where elements are illustrated in a circuit diagram as if they were directly connected to each other, the elements may actually be connected to each other through one conductor or a plurality of conductors. In this specification, even such a configuration is included in direct...