Browsing by Author "Savin, Andreas"

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    Influence of substituents on bond lengths
    (1988) Hayd, Helmut; Savin, Andreas; Stoll, Hermann; Preuss, Heinzwerner; Becker, Gerd
    Pseudopotential SCF calculations for Y3C-X, Y=H, F; X=H, F, Cl, PH2, PF2 and a simple model, simulating the substituents by a homogeneous, electric field, are presented in order to rationalize the substitution effect on the C-X bond.