Regresar

Ground and first excited states electrostatic molecular potentials of ketene and diazomethane

Abstract:

INDO wavefunctions for 1A1, 1A″ and 3A″ states of ketene and diazomethane, obtained with a RHF technique, after some geometry optimization for the excited states, are used to obtain electrostatic molecular potentials under ZDO assumptions. Ground-state results agree with the experimental behaviour and also with other theoretical calculations for both molecules. © 1976.

Año de publicación:

1974

Keywords:

    Fuente:

    scopusscopus

    Tipo de documento:

    Article

    Estado:

    Acceso restringido

    Áreas de conocimiento:

    • Química física
    • Química teórica

    Áreas temáticas:

    • Química física
    • Química orgánica
    • Química analítica

    Contribuidores:

    Caballol R.Caballol R.
    Ramón Carbö-D̈orcaRamón Carbö-D̈orca
    Martín M.Martín M.