Formation of interstellar complex polycyclic aromatic hydrocarbons: insights from molecular dynamics simulations of dehydrogenated benzene
The data are supplemental materials for the article entitled "Formation of interstellar complex polycyclic aromatic hydrocarbons: insights from molecular dynamics simulations of dehydrogenated benzene" authored by M. Hanine et al. The data contains: - Atomistic configurations of the formed PAH ...
Adsorption of methanol on ice
Data of the Adsorption Isotherm of Methanol on Crystalline (Ih) Ice at 200 K, as Obtained from Grand Canonical Monte Carlo Simulations.
Bis{(4-methylthio)phenylthio}methane as assembling ligand for the construction of Cu(I) and Hg(II) coordination polymers. Crystal structures and topological (AIM) analysis of the bonding
The novel 1D coordination polymer (CP) [{Cu(μ2-Br)2Cu}(μ-L2)2] CP2 has been obtained by reaction of the tetrakisthioether p-MeSC6H4SCH2SC6H4SMe-p (L2) with CuBr in a 1:2 metal-to ligand ratio. In contrast to the previously described CP [{Cu(μ2-Br)2Cu}(μ-L1)2] CP1 obtained by reaction of the ...
Two-dimensional polymeric [Hg4([mu]2-I)6I2([mu]2-C4S6)]n
The title compound, poly[([mu]2-2H,5H-1,3-dithiolo[4,5-d][1,3]dithiole-2,5-dithione)hexa-[mu]2-iodido-diiodidotetramercury(II)], [Hg4I8(C4S6)]n, represents the first example of a coordination polymer assembled by the [alpha],[alpha]-C4S6 dithione ligand. The HgII ions are four-coordinated in a ...
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