This work aims to determine structural, crystal properties and molecular spectroscopy of three N-ferrocenylmethyl-N-phenylamide using DFT method. The computed bond lengths, angles dihedral the titled molecules were calculated compared with experimental geometrical parameters, amount positive negative charges Mulliken charge electrostatic potential map (MESP) also investigated. theoretical vibra...

Lasse Jensen,*,† Kristian O. Sylvester-Hvid,‡ Kurt V. Mikkelsen,‡ and Per-Olof Åstrand§ Theoretical Chemistry, Materials Science Centre, RijksuniVersitet Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands, Department of Chemistry, UniVersity of Copenhagen, UniVersitetsparken 5, DK-2100 Copenhagen Ø, Denmark, Department of Chemistry, Norwegian UniVersity of Science and Technology, N-749...

The light-induced frequency shift due to hyperpolarizability (i.e., terms of second-order in intensity) is studied for a forbidden optical transition, J = 0 --> J = 0. A simple universal dependence on the field ellipticity is obtained. This result allows minimization of the second-order light shift with respect to the field polarization for optical lattices operating at a magic wavelength (at w...