the H2S dimer is known to be hydrogen bonded. However, its hydrogen-bonded geometry shows differences from that of the H2O dimer, which can be understood by considering the monomer structures. The S-H bonds in H2S are nearly perpendicular, with an HSH angle of ...
The bond length and bond angle of molecular H2S calculated by our approach are 0.1354 nm and 91.34°, which are in good agreement with the experimental values of 0.1336 nm and 92.12° [35], respectively. The calculated values for the lattice parameters of bulk ZnO are a = b = 0.3306 nm...
Molecular adsorptionAtomic geometry, electronic states and bonding of HS-adsorption on the InP(110) surface are studied by using ab initio calculations, based on the pseudopotentials and density functional theory. The adsorption of the molecule removes the relaxation of the clean InP(110) surface. ...
angle of 180°, there is no well but there is a barrier, indicating that the title reaction with a sufficiently low collision energy cannot occur through the S-H-H collinear path. For a better understanding of the characteristics of the PES, (X2Π ) reaction at the four the minimum ...
The calculated structural data for the X2B1 and A2A1 states are in very good agreement with previous evidence, but the 2B2 state is found to exhibit an [S---H2]+ structure with large SH bond separations and a very small internuclear angle of 32掳. Energies and wavefunctions are ...
The coordination geometry of the Li–C–Ti axis is linear (bond angle 172.8° in average of the two symmetry independent species) with coordination number five at the CH2-carbon atom. 展开 关键词: Titanium(III) Complex Carbaheterocycle Crystal Structure DOI: 10.1002/...
The chlorine, metal, and sulphur atoms are collinear while the local C 2 axis of the hydrogen sulphide molecule intersects the axis defined by the heavy atoms at an angle, ϕ = 74.46(2)° for Cu and ϕ = 78.052(6)° for Ag. The molecular geometries are rationalised using simple ...
The contact angle on the PDMS surface was equal to 156° ± 2, as shown in Fig. 1C. Spheres of MDA-MB 231 cancer cells in their respective PF and PSF hydrogel matrices (MDAPFs and MDAPSFs) (Fig. 1D) were produced using photopolymerization with UVA of drops of 2 or 3 μl of PF...