J. Douady

Exponential transformation of molecular orbitals: A quadratically convergent SCF procedure. I. General formulation and application to closed-shell ground states

J. Douady, Y. Ellinger, R. Subra et al. · The Journal of Chemical Physics · 1980 · 88 citations

Natural Sciences, Chemistry, Physics +17

<i>A</i> <i>b</i> <i>i</i> <i>n</i> <i>i</i> <i>t</i> <i>i</i> <i>o</i> study of the vibrational dependence of hyperfine coupling constants in the methyl, silyl, and formaldehyde anion radicals

Y. Ellinger, F. Pauzat, Vincenzo Barone et al. · The Journal of Chemical Physics · 1980 · 65 citations

Natural Sciences, Chemistry, Physics +17

Nonempirical calculations on the conformation and hyperfine structure of the nitroxide and ketyl groups. Consequences of out-of-plane bending on hyperfine interactions

Y. Ellinger, R. Subra, A. Rassat et al. · Journal of the American Chemical Society · 1975 · 46 citations

Natural Sciences, Chemistry, Physics +10

Nitroxydes XXXII

J. Douady, Y. Ellinger, A. Rassat et al. · Molecular Physics · 1969 · 35 citations

Natural Sciences, Chemistry, Physics +14

Perturbative configuration interaction using localized orbitals in the <scp>INDO</scp> hypothesis. I. Theory and applications to energetical problems

J. Douady, Vincenzo Barone, Y. Ellinger et al. · International Journal of Quantum Chemistry · 1980 · 18 citations

Natural Sciences, Chemistry, Computational Chemistry +14