DOI: 10.1063/1.1696710. Repulsion Center of a Bonded Hydrogen Atom

Repulsion Center of a Bonded Hydrogen Atom

10.1063/1.1696710

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

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.

Bibliography

Williams, D. E. (1965). Repulsion Center of a Bonded Hydrogen Atom. The Journal of Chemical Physics, 43(12), 4424â4426.

Authors 1

Donald E. Williams (first)

References 15 Referenced 48

10.1063/1.1696397 / J. Chem. Phys. (1965)
10.1103/RevModPhys.32.219 / Rev. Mod. Phys. (1960)
10.1126/science.147.3658.605 / Science (1965)
10.1107/S0365110X65001391 / Acta Cryst. (1965)
{'key': '2024020900210804000_r5'}
10.1021/ja01070a004 / J. Am. Chem. Soc. (1964)
10.1103/PhysRev.131.203 / Phys. Rev. (1963)
10.1063/1.1703225 / J. Chem. Phys. (1965)
10.1016/S0031-8914(42)90118-6 / Physica (1942)
10.1103/PhysRev.90.1021 / Phys. Rev. (1953)
10.1063/1.1699094 / J. Chem. Phys. (1953)
10.1103/PhysRev.64.131 / Phys. Rev. (1943)
10.1063/1.1743400 / J. Chem. Phys. (1957)
10.1063/1.1740100 / J. Chem. Phys. (1954)
{'key': '2024020900210804000_r14'}

Dates

Type	When
Created	20 years, 7 months ago (Jan. 9, 2005, 3:01 a.m.)
Deposited	1 year, 6 months ago (Feb. 8, 2024, 7:21 p.m.)
Indexed	1 year, 6 months ago (Feb. 10, 2024, 4:41 a.m.)
Issued	59 years, 8 months ago (Dec. 15, 1965)
Published	59 years, 8 months ago (Dec. 15, 1965)
Published Print	59 years, 8 months ago (Dec. 15, 1965)

Funders 0

None

BibTeX

@article{Williams_1965, title={Repulsion Center of a Bonded Hydrogen Atom}, volume={43}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1696710}, DOI={10.1063/1.1696710}, number={12}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Williams, Donald E.}, year={1965}, month=dec, pages={4424–4426} }

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