Rub�n H. Contreras

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

Alejandro R. Engelmann, Rub�n H. Contreras, Julio C. Facelli · Theoretical Chemistry Accounts · 1981 · 43 citations

Natural Sciences, Chemistry, Computational Chemistry +14

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

Gustavo E. Scuseria, Alejandro R. Engelmann, Rub�n H. Contreras · Theoretical Chemistry Accounts · 1982 · 32 citations

Natural Sciences, Chemistry, Physics +13

A DFT/GIAO/NBO and experimental study of13C SCSs in 1-X-bicyclo[1.1.1]pentanes

Ernest W. Della, Ian J. Lochert, Juan E. Peralta et al. · Magnetic Resonance in Chemistry · 2000 · 20 citations

Natural Sciences, Chemistry, Computational Chemistry +16

Ab initio calculations of through-space nuclear spin?spin coupling constants with theIPPP method

Gustavo E. Scuseria, Rub�n H. Contreras · International Journal of Quantum Chemistry · 1986 · 12 citations

Natural Sciences, Chemistry, Physics +15