Showing papers by "Henry Eyring published in 1951"
95 citations
46 citations
TL;DR: In this article, the authors defined and applied semilocalized orbitals to the hydrogen molecule and obtained a binding energy of 4.20 ev in comparison with 3.60 and 3.76 ev obtained from the best molecular and atomic orbital calculations.
Abstract: Semilocalized orbitals are defined and applied to the hydrogen molecule. The basic criteria for the analytic form of this kind of orbital is that it shall assume either molecular or atomic orbital form for certain special values of the variational parameters. A binding energy of 4.20 ev is found in comparison with 3.60 and 3.76 ev obtained from the best molecular and atomic orbital calculations. The physical interpretation of the results is briefly discussed.
45 citations
TL;DR: In this article, the absolute rate theory is combined with molecular models in the study of the annealing of metals and of glass and it is thus possible to obtain expressions which are in close agreement with experimental data.
Abstract: Absolute rate theory is combined with molecular models in the study of the annealing of metals and of glass. It is thus possible to obtain expressions which are in close agreement with experimental data. Both the observed first‐order data for metals and the second‐order data for glass are predicted in this way. A virtue of the rate theory treatment is that it replaces the earlier macroscopic theories with a treatment in molecular terms.
25 citations
TL;DR: In this article, a quantum-mechanical calculation of the polarity of the carbon-hydrogen bond is made, and the effect of the interelectronic repulsions is considered.
Abstract: Considering the carbon‐hydrogen bond as an isolated unit, and including the effect of the interelectronic repulsions, a quantum‐mechanical calculation of the polarity of this bond is made The bond dipole is found to be C+H− On the basis of these calculations, the effect of change in hybridization on the C–H dipole, and the similar effect of replacement of hydrogen in a hydrocarbon by a highly electronegative substituent, is qualitatively discussed It is predicted that, in both cases, there will be a tendency for the dipole moment to reverse itself
11 citations
TL;DR: In this paper, the authors defined a constant which is equal to (π/2)c l −length of fiber Δ mdash;elong tion of fiber -mass of pendulum weight n-ordinal number of period 1.
Abstract: K’ —constant which is equal to (π/2)c l—length of fiber Δ mdash;elong tion of fiber -mass of pendulum weight n—ordinal number of period 1—number of Maxwell units in a flow unit n2—number of straight springs in a flow unit 3—number of bent springs in a flow unit n1i—number of dashpot, i, in a flow unit ro—radius of fiber S—strain So—strain impressed at time zero —strain on Maxwell spring S—strain on dashpot Š mdash;rate of relative elongation Š mdash;average of Š through a period —second derivative of swith respect to time Sn—amplitude at nth period o—amplitude at zeroth period Δ Simdash;entropy for dissociation of dashpot i
4 citations
TL;DR: In this article, a series of approximations, which achieve a considerable simplification in molecular orbital calculations, is discussed, where the method is to replace some of the more complex integrals in some cases by an ''overlap average'' of simpler integrals; in other cases to use a ''central field'' approximation.
Abstract: A series of approximations, which achieve a considerable simplification in molecular orbital calculations, is discussed. The method is to replace some of the more complex integrals in some cases by an ``overlap average'' of simpler integrals; in other cases to use a ``central field'' approximation. The effective charge of the central field point source is calculated by application of Gauss' theorem. These approximations are applied to diatomic lithium hydride.
3 citations