A novel and exquisite approach to single layer bioinorganic membranes

Abstract

The work characterizes the Raman spectrum of the new nano-molecule C 13 H 20 BeLi 2 SeSi / C 13 H 19 BeLi 2 SeSi, nano-molecule Kurumi. Calculations obtained in the methods Restrict Hartree-Fock of the first principles (ab initio), on the set of basis used indicate that the simulated molecule C 13 H 20 BeLi 2 SeSi / C 13 H 19 BeLi 2 SeSi features the structure polar-apolar-polar predominant. The set of basis used that have been correlation-consistent polarized Triple-zeta (CC-pVTZ) and Pople’s basis sets six gaussian functions in the shell, three double zeta Gaussian functions, Slater type orbitals with polarization function (6-311G** (3df, 3pd)). In the CC-pVTZ base set,