DOI: 10.1063/1.436113. An intermolecular potential for (NH3)2

10.1063/1.436113

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Model interatomic potential energy functions are presented for the ammonia dimer (NH3)2 which have the correct Coulombic and dispersion interactions for asymptotically large intermolecular separations. Existing data for the second virial coefficient of the gas together with the known structure and binding energy of the solid are used to constrain the parameters of the short range interatomic interactions. Finally, new experimental results for the differential collision cross section of NH3+NH3 are used to test the proposed potential energy functions.

Bibliography

Duquette, G., Ellis, T. H., Scoles, G., Watts, R. O., & Klein, M. L. (1978). An intermolecular potential for (NH3)2. The Journal of Chemical Physics, 68(6), 2544â2549.

Authors 5

G. Duquette (first)
T. H. Ellis (additional)
G. Scoles (additional)
R. O. Watts (additional)
M. L. Klein (additional)

References 26 Referenced 42

10.1088/0022-3700/8/18/022 / J. Phys. B (1975)
10.1063/1.432402 / J. Chem. Phys. (1976)
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10.1021/ja00858a004 / J. Am. Chem. Soc. (1975)
10.1080/00268977700100991 / Mol. Phys. (1977)
{'key': '2024020916340331400_r6'}
10.1016/0301-0104(77)85160-4 / Chem. Phys. (1977)
10.1063/1.434560 / J. Chem. Phys. (1977)
{'key': '2024020916340331400_r9', 'first-page': '119', 'volume': '19', 'year': '1976', 'journal-title': 'Chem. Phys.'} / Chem. Phys. (1976)
{'key': '2024020916340331400_r10', 'first-page': '334', 'volume': '295', 'year': '1966', 'journal-title': 'Proc. R. Soc. A'} / Proc. R. Soc. A (1966)
10.1080/00268976600101201 / Mol. Phys. (1966)
10.1016/0009-2614(70)80047-1 / Chem. Phys. Lett. (1970)
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10.1103/PhysRev.80.511 / Phys. Rev. (1950)
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10.1016/0301-0104(77)87074-2 / Chem. Phys. (1977)
{'key': '2024020916340331400_r17'}
{'key': '2024020916340331400_r18', 'first-page': '1233', 'volume': '28', 'year': '1976', 'journal-title': 'Mol. Phys.'} / Mol. Phys. (1976)
10.1107/S0365110X59002420 / Acta Crystallogr. (1959)
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10.1063/1.1732137 / J. Chem. Phys. (1961)
10.1021/ja01281a008 / J. Am. Chem. Soc. (1937)
{'key': '2024020916340331400_r24', 'first-page': '827', 'volume': '8', 'year': '1966', 'journal-title': 'Sov. Phys. Solid State'} / Sov. Phys. Solid State (1966)
{'key': '2024020916340331400_r25'}
10.1016/0009-2614(76)85194-9 / Chem. Phys. Lett. (1976)

Dates

Type	When
Created	22 years, 5 months ago (Feb. 27, 2003, 5:38 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 1:17 p.m.)
Indexed	1 year ago (Aug. 2, 2024, 6:31 a.m.)
Issued	47 years, 5 months ago (March 15, 1978)
Published	47 years, 5 months ago (March 15, 1978)
Published Print	47 years, 5 months ago (March 15, 1978)

Funders 0

None

BibTeX

@article{Duquette_1978, title={An intermolecular potential for (NH3)2}, volume={68}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.436113}, DOI={10.1063/1.436113}, number={6}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Duquette, G. and Ellis, T. H. and Scoles, G. and Watts, R. O. and Klein, M. L.}, year={1978}, month=mar, pages={2544–2549} }

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