title: A theoretical study of multinuclear coupling constants in pyrazoles.
abstract: The 243 coupling constants of eight N-R-pyrazoles [R=H, CH3, C6H5, COCH3, NH2, NO2, SO2CF3, Si(CH3)3] have been calculated and compared with 131 experimental values. The agreement is good and can be used to estimate new couplings. The whole collection has been statistically analyzed.
authors.affiliation: Departamento de Química Orgánica y Bio-Orgánica, UNED, Facultad de Ciencias, Senda del Rey 9, E-28040 Madrid, Spain.
authors.forename: Rosa M
authors.initials: RM
authors.lastname: Claramunt
authors.forename: Dionisia
authors.initials: D
authors.lastname: Sanz
authors.forename: Ibon
authors.initials: I
authors.lastname: Alkorta
authors.forename: José
authors.initials: J
authors.lastname: Elguero