DOI: 10.1063/1.1727830. Single-Center Calculation of NH3

10.1063/1.1727830

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

A single-center molecular wavefunction for NH3 consisting of nine terms is obtained. Each term is a symmetry-adapted combination of Slater determinants which are composed of Slater-type orbitals of noninteger principal quantum number. Up to and including f orbitals are considered. The H–N–H angle is found to be 104°10′ (experimental: 106°46′) and the bond distance to be 1.86 a.u. (experimental: 1.916 a.u.).

Bibliography

Bishop, D. M. (1966). Single-Center Calculation of NH3. The Journal of Chemical Physics, 45(5), 1787â1789.

Authors 1

David M. Bishop (first)

References 14 Referenced 14

10.1063/1.1696716 / J. Chem. Phys. (1965)
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10.1063/1.1742542 / J. Chem. Phys. (1956)
10.1063/1.1743740 / J. Chem. Phys. (1957)
10.1063/1.1743608 / J. Chem. Phys. (1957)
10.1080/00268976300100521 / Mol. Phys. (1963)
10.1063/1.1733984 / J. Chem. Phys. (1963)
10.1063/1.1725490 / J. Chem. Phys. (1964)
10.1063/1.1701513 / J. Chem. Phys. (1965)
10.1063/1.1726853 / J. Chem. Phys. (1966)
{'key': '2024020901275217000_r6'}
{'key': '2024020901275217000_r7'}
10.1063/1.1700911 / J. Chem. Phys. (1960)
10.1063/1.1696516 / J. Chem. Phys. (1965)

Dates

Type	When
Created	20 years, 7 months ago (Jan. 9, 2005, 4:42 a.m.)
Deposited	1 year, 6 months ago (Feb. 8, 2024, 8:28 p.m.)
Indexed	1 year, 6 months ago (Feb. 9, 2024, 5:58 p.m.)
Issued	58 years, 11 months ago (Sept. 1, 1966)
Published	58 years, 11 months ago (Sept. 1, 1966)
Published Print	58 years, 11 months ago (Sept. 1, 1966)

Funders 0

None

BibTeX

@article{Bishop_1966, title={Single-Center Calculation of NH3}, volume={45}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1727830}, DOI={10.1063/1.1727830}, number={5}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Bishop, David M.}, year={1966}, month=sep, pages={1787–1789} }

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