Repulsion Center of a Bonded Hydrogen Atom
- 15 December 1965
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 43 (12) , 4424-4426
- https://doi.org/10.1063/1.1696710
Abstract
The center of repulsion of a bonded hydrogen atom in a hydrogen molecule was found to be appreciably shifted from the proton into the bond. The magnitude of the shift was found to be 0.07–0.10 Å based on quantum‐mechanical calculations of the energy of the He–H2 and H2–H2 systems. The shift of the repulsion center is in good agreement with the shift of the center of spherical electron density found by Stewart, Davidson, and Simpson.Keywords
This publication has 13 references indexed in Scilit:
- Coherent X-Ray Scattering for the Hydrogen Atom in the Hydrogen MoleculeThe Journal of Chemical Physics, 1965
- The principle of close packing and the condition of thermodynamic stability of organic crystalsActa Crystallographica, 1965
- Crystal Packing of MoleculesScience, 1965
- An Empirical Model for Nonbonded H-H Repulsion Energies in HydrocarbonsJournal of the American Chemical Society, 1964
- Interaction Energy between a Helium Atom and a Hydrogen MoleculePhysical Review B, 1963
- Accurate Electronic Wave Functions for theMoleculeReviews of Modern Physics, 1960
- The Intermolecular Potentials of Helium and HydrogenThe Journal of Chemical Physics, 1954
- The Forces Between Hydrogen MoleculesPhysical Review B, 1953
- The Forces Between Hydrogen MoleculesPhysical Review B, 1943
- The non spherical potential field between two hydrogen moleculesPhysica, 1942