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Electron propagator theory approach to ab initio calculations of electron transfer rate and molecular conductanceKletsov, Aleksey A. · Chemical Physics Letters · 2014

The molecular structure of isothiazole from electron diffraction and ab initio calculationsGyörgy Schultz; István Hargittai; Paul Friedman · 1988

Ab initio quasirelativistic calculations on angular momentum and magnetic couplings of molecular electronic statesA. Zaitsevskii; R. Ferber; R. Cimiraglia · 2002

Ab initio calculations of molecular and electronic structure of disilane. I. Molecular force field and vibrational spectrumAntonio Márquez; Javier Fernández Sanz; Michel Gelizé; Alain Dargelos · 1991

The molecular structure of 1,1-dicyanocyclopentane from gas electron diffraction data and ab initio calculationsMarwan Dakkouri; Volker Typke · 2002

Ab initio molecular orbital calculations of the electronic structure of fluorosilane and fluorogermaneBreeze, A.; Collins, G. A. D.; Cruickshank, D. W. J. · Journal of the Chemical Society D: Chemical Communications · 1971

Electronic Bases of Molecular Vibrations. III. Ab Initio Calculations of H2+ and H2 Force ConstantsRoss, William R. · The Journal of Chemical Physics · 1966

The vacuum ultraviolet spectrum of [Mn2(CO)10]Antonio Márquez; Javier Fernández Sanz; Michel Gelizé; Alain Dargelos · 1992

Ab initio calculations of molecular and electronic structure of disilane. II. Photoelectron and vacuum UV electronic spectraMichel Gelizé; Alain Dargelos; Antonio Márquez; Javier Fernández Sanz · 1991

Ab initio calculations of molecular and electronic structure of disilane. I. Molecular force field and vibrational spectrumAntonio Márquez; Javier Fernández Sanz; Michel Gelizé; Alain Dargelos · 1991