AIM studies

Ge), revealed by the AIM study for the X-H-Ni interactions, and the negative sign of the energy density establish the covalent nature of these interactions. These nonclassical species 42 and 43 are particularly stable for X = Si, Ge, which has been attributed to the higher electron-donor ability of these XH3 groups. 

The strueture of the di-iron eomplex [Fe2(p, t, t -BH6)(PEt3)g] (127) contains a boron atom in the oetahedral environment of 6 equiv. hydrides capped on the opposite faeets by two iron atoms.Thus, neglecting the second iron center, the geometry is very reminiseent of the complex 125. DFT calculations supplemented by an AIM study eonfirmed the presence of six H-B interactions and direct Fe B bonds. The strueture was eonsidered as containing a boron trication B " sandwiched between two anions [Fe(H)3(PEt3)3] . 

The reactivity of a surface depends on many factors. These include the adsorption energies of chemical species and their dissociation behavior, their diffusion on the surface, the adatom-adatom interactions, the active sites where a chemical reaction can occur, and the desorption behavior of a new chemical species formed on the surface. The site specificity depends on at least three factors the atomic configuration of the surface, the electronic structures of the surface, and the localized surface field. In atom-probe experiments, the desorption sites can be revealed by a timegated image of an imaging atom-probe as well as by an aiming study with a probe-hole atom-probe, the electronic structure effect of a chemical reaction can be investigated by the emitter material specificity, and the surface field can be modified by the applied field. 

J. Gu et al., H-bonding patterns in the platinated guanine-cytosine base pair and guanine-cytosine-guanine-cytosine base tetrad An electron density deformation analysis and aim study. J. Am. Chem. Soc. 126, 12651-12660 (2004)... 

Muchall and Werstiuk performed an extensive AIM study on the structure of the l,2,4,7-anft-tetramethyl-2-norbomyl cation. The topology confirms a hyper-conjugatively stabilized 2-norbomyl cation, which is not bridged and does not show a 3c-2e bond as had been reported. This study clearly shows that it is necessary to consider the full information available from the charge density if the goal is to obtain information about the structure of a molecule. 

Paci E Airoldi M Paixao JA Sobral AJEN Palazzo G Lopez P Palberg T Liu J Palberg T Medebach M Palberg T Wette P Paluch M Klich J Paluch M Gzyl B Peel LL, Lu JR The interaction of C12E5 with olive oil Aims studied by neutron reflection 164... 

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