R. Subra

Spin density in a nitronyl nitroxide free radical. Polarized neutron diffraction investigation and ab initio calculations

Andrei Zheludev, Vincenzo Barone, Michel Bonnet et al. · Journal of the American Chemical Society · 1994 · 226 citations

Natural Sciences, Chemistry, Physics +16

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 electronic structure and hyperfine coupling properties in simple hydrocarbon radicals. II. Short-range and long-range interactions in alkyl free radicals

Y. Ellinger, R. Subra, Bernard C. Levy et al. · The Journal of Chemical Physics · 1975 · 69 citations

Natural Sciences, Chemistry, Physics +16

<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

Structure and magnetic properties of benzyl, anilino, and phenoxyl radicals by density functional computations

Carlo Adamo, R. Subra, Andrea Di Matteo et al. · The Journal of Chemical Physics · 1998 · 63 citations

Natural Sciences, Chemistry, Physics +17