Regresar

Charge distribution analysis in terms of Berlin's binding and antibinding regions for Li<inf>2</inf> and F<inf>2</inf>

Abstract:

The MCSCF wave functions of Das for Li2, and Das and Wahl for F2, have been analyzed in terms of Berlin's binding and antibinding regions. The effect of electronic correlation on the charge distributions in these regions is studied. The process of bond formation in going from separated atoms to the correlated molecule is also discussed with reference to Berlin's regions. Copyright © 1978 John Wiley & Sons, Inc.

Año de publicación:

1978

Keywords:

    Fuente:

    scopusscopus

    Tipo de documento:

    Article

    Estado:

    Acceso restringido

    Áreas de conocimiento:

    • Química teórica

    Áreas temáticas:

    • Química orgánica
    • Aceites, grasas, ceras y gases industriales
    • Química física

    Contribuidores:

    Eduardo V. LudeñaEduardo V. Ludeña
    Zuvia M.Zuvia M.