This conclusion was based on a "bond-length-with-a-ruler" interpretation of respective shifts of the 蟽 shape resonance. In order to understand the details of the coadsorptive interaction and its consequences for molecular geometries ab initio Hartree-Fock cluster calculations are performed on CH ...
Near TC, the linewidths rapidly changed from a Gaussian shape to a Lorentzian one. The 13C NMR chemical shifts of [NH2(CH3)2]2CuBr4 were also measured in phases I and II as a function of temperature, as shown in Fig. 6. Because the signals above 340 K could not be well detected...
Although the grain has an euhedral shape, the observed geometry is inconsistent with the crystal habit determined via electron diffraction crystallography. It is therefore probable that this represents a fragment of a larger grain that may have fractured during the shock event (as recorded by the ...
modes at 0.95 and 1.87 THz are assigned to the Pb-I vibrations of the inorganic components in the tetragonal phase. By contrast, the origin of the 1.58 THz absorption is due to the structural deformation of Pb-I bonding at the grain boundary incorporated with a CH3NH2molecular ...
Thinness- and shape-controlled growth for ultrathin single- crystalline perovskite wafers for mass production of superior photoelectronic devices. Adv. Mater. 28, 9204–9209 (2016). 8. Price, M. et al. Hot carrier cooling and photo-induced refractive index changes in organic-inorganic lead ...
The continuum above edge features reveal the presence of double excitations and shape resonances. Moreover complementary experimental results are reported for GeCl . The Ge 3s, ge 3p and Cl 2p inner shell electrn energy loss spectra recorded under electric dipole scattering conditions give a ...
Here, we report organic magnetic conductors consisting of [M(dmit)2] (M = Ni and Pd) and a new organic cation bearing PO radical, PO–CONH–C2H4N(CH3)3+ (C1+), the molecular shape of which is similar to that of A1. The resultant salts have a new type of structural feature, ...
The critical binding contact of ponatinib, F642, seems to be also one of the most important contacts of 2, stabilizing its molecule in the active site by π-π displaced (offset) and also π-π T-shape with two phenyl rings of a PPh3 ligand. One of the phenyl rings is found in ...