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Binding of an electron to a molecular dipole: BeF2- (1978)

Seiders, Barbara A. B. ; Luken, William L. ; Jordan, Kenneth D.

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 14 (1978), S. 741-746

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ISSN: 0020-7608

Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: Results of extended-basis SCF calculations indicate that BeF2- may exist as a metastable species. Comparison of results obtained from SCF calculations on neutral BeF2 with those of BeF2- shows that the orbital occupied by the electron of BeF2- is well approximated by the lowest unoccupied molecular orbital of neutral BeF2.

Additional Material: 1 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/qua.560140606

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