Binding energies and structures of NH3 clusters

J. C. Greer; R. Ahlrichs; I. V. Hertel

doi:10.1016/0301-0104(89)80200-9

Binding energies and structures of NH₃ clusters

J. C. Greer, R. Ahlrichs, I. V. Hertel

Research output: Journal Publication › Article › peer-review

39 Citations (Scopus)

Abstract

Optimised geometries and binding energies are presented for neutral ammonia clusters (NH₃)_n with n=3 to 7. The computations treat binding potentials as pairwise additive between constituent molecules of the clusters. The relatively simple calculations give good agreement with binding energies determined by recent photoionisation and photodissociation measurements.

Original language	English
Pages (from-to)	191-197
Number of pages	7
Journal	Chemical Physics
Volume	133
Issue number	2
DOIs	https://doi.org/10.1016/0301-0104(89)80200-9
Publication status	Published - 15 May 1989
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0301-0104(89)80200-9

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Greer, J. C., Ahlrichs, R., & Hertel, I. V. (1989). Binding energies and structures of NH₃ clusters. Chemical Physics, 133(2), 191-197. https://doi.org/10.1016/0301-0104(89)80200-9

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AU - Hertel, I. V.

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AB - Optimised geometries and binding energies are presented for neutral ammonia clusters (NH3)n with n=3 to 7. The computations treat binding potentials as pairwise additive between constituent molecules of the clusters. The relatively simple calculations give good agreement with binding energies determined by recent photoionisation and photodissociation measurements.

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Binding energies and structures of NH₃ clusters

Abstract

ASJC Scopus subject areas

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