Density functional investigation of the molecular geometries, harmonic vibrational frequencies, singlet-triplet energy separations, adiabatic ionization potentials, and electron affinities of XY2 (X = Si, Ge, Sn; Y = F, Cl) systems

Article de revue

Avec comité de lecture

Emilia Sicilia, Marirosa Toscano, Tzonka Mineva et Nino Russo

International journal of quantum chemistry, Vol.61(3), pp.571-577

1997

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Titre: Density functional investigation of the molecular geometries, harmonic vibrational frequencies, singlet-triplet energy separations, adiabatic ionization potentials, and electron affinities of XY2 (X = Si, Ge, Sn; Y = F, Cl) systems
Créateurs - sans rôle: Emilia Sicilia - Dipartimento di Chimica, Universitá della Calibria, I-87030 Arcavacata di Rende (CS), Italy
Marirosa Toscano - Dipartimento di Chimica, Universitá della Calibria, I-87030 Arcavacata di Rende (CS), Italy
Tzonka Mineva - Dipartimento di Chimica, Universitá della Calibria, I-87030 Arcavacata di Rende (CS), Italy
Nino Russo - Dipartimento di Chimica, Universitá della Calibria, I-87030 Arcavacata di Rende (CS), Italy
Détails de publication: International journal of quantum chemistry, Vol.61(3), pp.571-577
Éditeur: John Wiley & Sons, Inc
Nombre de pages: 7
Identifiants: 99158495709311
Unité académique: Institut Charles Gerhardt Montpellier - ICGM
Langue: English
Type de ressource: Journal article