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

38 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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title = "Binding energies and structures of NH3 clusters",

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.",

author = "Greer, {J. C.} and R. Ahlrichs and Hertel, {I. V.}",

year = "1989",

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doi = "10.1016/0301-0104(89)80200-9",

language = "English",

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T1 - Binding energies and structures of NH3 clusters

AU - Greer, J. C.

AU - Ahlrichs, R.

AU - Hertel, I. V.

PY - 1989/5/15

Y1 - 1989/5/15

N2 - 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.

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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U2 - 10.1016/0301-0104(89)80200-9

DO - 10.1016/0301-0104(89)80200-9

M3 - Article

AN - SCOPUS:0010079165

SN - 0301-0104

VL - 133

SP - 191

EP - 197

JO - Chemical Physics

JF - Chemical Physics

IS - 2

ER -

Binding energies and structures of NH₃ clusters

Abstract

ASJC Scopus subject areas

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