J. Guilleme

Basis sets and active space in multiconfigurational self-consistent field calculations of nuclear magnetic resonance spin–spin coupling constants

J. Guilleme, J. San Fabián · The Journal of Chemical Physics · 1998 · 65 citations

Engineering, Nuclear Physics, Spin Systems +17

Vicinal proton-proton coupling constants

J. San Fabián, J. Guilleme, C. Altona et al. · Molecular Physics · 1989 · 56 citations

Substituted Hcch Fragments, Individual Substituents, Physics +12

Vicinal proton-proton coupling constants

J. San Fabián, J. Guilleme, Paolo Lazzeretti et al. · Molecular Physics · 1994 · 36 citations

Empirical Parametrization, Karplus Type Equations, Engineering +15

Relationship between torsional angles and ring-puckering coordinates

Ángel L. Esteban, J. Guilleme, F.L. Bermejo · Journal of Molecular Structure · 1981 · 35 citations

Integral Geometry, Geometry, Ring Theory +2

MCSCF calculations of NMR spin–spin coupling constant of the HF molecule

J. San Fabián, Jorge Casanueva, Emilio San‐Fabián et al. · The Journal of Chemical Physics · 2000 · 29 citations

Magnetic Resonance, Hf Molecule, Computational Chemistry +19