N 2 gasN 2 potential / A3420 Interatomic and intermolecular potentials and forcesThe structure factor for nitrogen gas was measured between 0·3 < Q < 4 -1 and at densities of 0·48 and 0·35 1022 molecules cm-3 and temperatures of 296 and 200 K. We have tried to improve the ...
Nitrogen could form an N8 molecular crystal at low temperatures, according to density functional theory calculations done by Israeli and US researchers. The hypothetical structure consists of N8 molecules containing a combination of single, double and triple bonds. Intermolecular forces should allow the ...
STABLE molecules and inert gas atoms, M , form "unstable" dimers, M 2 , which are held together only by van der Waals forces. When the dimer is ionized, an anti-bonding electron is removed and the species M 2 + should be stable with res... B Badger,B Brocklehurst - 《Nature》 被...
To better understand the redistribution of electronic density, the electron localization function (ELF) of ζ-N2was calculated at pressures between 110 to 150 GPa. From the ELF computations (Fig.4b), isosurfaces of 0.5—value defined as that of a free electron gas42—were drawn for structure...
Shale oil/gas is a crucial development in the exploitation of unconventional reservoirs. However, owing to the small pore size and complicated structure, finding an inexpensive and accurate method of accurately representing the pore structure has become an important issue. This paper summarizes and com...
The reaction thermochemistries for the dehydrocoupling of BNH6(s) to c-B3N3H12(s) and the dehydrogenation of c-B3N3H12(s) to c-B3N3H6(l) are much less exothermic compared with the gas-phase reactions due to intermolecular forces which decrease in the order BNH6 > cyclo-B3N3H12 >...
Paar reactor, purged with H2gas. These catalysts demonstrate excellent activity and selectivity in both reactions. The remarkable activity of the 3D Pd-based nanocomposites in Heck reactions and hydrogenation of nitroarenes may be attributed to the small particle size (3–10 nm) and a high ...
The results show that the present approach provides considerable insight into the microscopic collisional processes and intermolecular forces which give rise to the observable cross sections, as well as providing an opportunity to compare computational results with experiment....
Gas dynamic properties which include the effects of dissociation and intermolecular forces (van der Waals) are presented for incident and reflected shock waves in equilibrium imperfect nitrogen. Charts are presented for incident shock Mach numbers in the range from 1 to 10 into (ideal) nitrogen at...
For the bent complexes, electrostatic and dispersion forces are competing as a leading attractive interaction.Antti LignellLeonid KhriachtchevMika PetterssonMarkku RasanenThe Journal of Chemical PhysicsLIGNELL A,KHRIACHTCHEY L,PETTERSSON M. Interaction of rare-gas-containing molecules with nitrogen:Matrix-...