Transmission mechanisms of spin–spin coupling constants within the CHF approximation: Their study using inner projections of the polarization propagator

por Engelmann, Alejandro R., Contreras, Rubén Horacio
Publicado 1983

Unrestricted Hartree-Fock instabilities in nuclear spin-spin coupling calculations. The MNDO method

por Scuseria, Gustavo E., Engelmann, Alejandro R., Contreras, Rubén Horacio
Publicado 1982

The use of partially restricted molecular orbitals to investigate transmission mechanisms of spin-spin coupling constants. II. the σ and π contributions to the Fermi contact, orbit...

por Engelmann, Alejandro R., Scuseria, Gustavo E., Contreras, Rubén Horacio
Publicado 1982

The use of partially restricted molecular orbitals to investigate transmission mechanisms of spin-spin coupling constants. I. The σ and π contributions within the FPT INDO method

por Engelmann, Alejandro R., Contreras, Rubén Horacio, Facelli, Julio César
Publicado 1981

Transmission mechanisms of inter‐proton long‐range couplings in substituted anisoles

por Contreras, Rubén Horacio, Engelmann, Alejandro R., Facelli, Julio César, Duran, Julio Cesar
Publicado 1981

IPPP - A program for the RPA calculation of transmission mechanisms of spin-spin coupling constants

por Engelmann, Alejandro R., Natiello, Mario Alberto, Scuseria, Gustavo E., Contreras, Rubén Horacio
Publicado 1986

Influence of the INDO parameterization on the indirect spin–spin coupling constants as calculated by the FPT INDO method

por Contreras, Rubén Horacio, Engelmann, Alejandro R., Scuseria, Gustavo E., Facelli, Julio César
Publicado 1980

The contribution of molecular vibrations to calculated spin-spin coupling constants: A comparison of different commonly-used methods

por Facelli, Julio César, Contreras, Rubén Horacio, Scuseria, Gustavo E., Engelmann, Alejandro R.
Publicado 1979