Yves G. Smeyers

Half‐Projected and Projected Hartree‐Fock Calculations for Singlet Ground States. i. four‐Electron Atomic Systems

Yves G. Smeyers, Lorenzo Doreste-Suárez · International Journal of Quantum Chemistry · 1973 · 105 citations

Natural Sciences, Chemistry, Physics +15

An <i>ab</i> <i>initio</i> structural and spectroscopic study of acetone—An analysis of the far infrared torsional spectra of acetone-<i>h</i>6 and -<i>d</i>6

Yves G. Smeyers, M. L. Senent, V. Botella et al. · The Journal of Chemical Physics · 1993 · 95 citations

Natural Sciences, Chemistry, Physics +17

Extended Hartree–Fock calculations for the helium ground state

R. Lefèbvre, Yves G. Smeyers · International Journal of Quantum Chemistry · 1967 · 87 citations

Natural Sciences, Physics, Computational Chemistry +16

<i>Ab initio</i> determination of the far infrared spectra of some isotopic varieties of ethanol

M. L. Senent, Yves G. Smeyers, R. Domı́nguez-Gómez et al. · The Journal of Chemical Physics · 2000 · 54 citations · Full text

Natural Sciences, Chemistry, Organic Chemistry +15

Cndo/2 conformational calculation for conjugated and non-conjugated molecular systems

C. Sieiro, P. F. González‐Díaz, Yves G. Smeyers · Journal of Molecular Structure · 1975 · 52 citations

Natural Sciences, Chemistry, Computational Chemistry +13