Computed structure of small benzene clusters

B.W. van de Waal

doi:10.1016/0009-2614(86)87017-8

Computed structure of small benzene clusters

B.W. van de Waal

University of Twente

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Abstract

The structures of small benzene clusters (C6H6)n, n = 2–7, have been calculated employing potential-energy minimization with respect to molecular translational and rotational coordinates, using exp-6-1 non-bonded atom-atom potential functions. The influence of the adopted point-charge model is discussed for the dimer structure.

Original language	Undefined
Pages (from-to)	69-72
Journal	Chemical physics letters
Volume	123
Issue number	1-2
DOIs	https://doi.org/10.1016/0009-2614(86)87017-8
Publication status	Published - 1986

Keywords

IR-69698

Access to Document

10.1016/0009-2614(86)87017-8

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Cite this

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title = "Computed structure of small benzene clusters",

abstract = "The structures of small benzene clusters (C6H6)n, n = 2–7, have been calculated employing potential-energy minimization with respect to molecular translational and rotational coordinates, using exp-6-1 non-bonded atom-atom potential functions. The influence of the adopted point-charge model is discussed for the dimer structure.",

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year = "1986",

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language = "Undefined",

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journal = "Chemical physics letters",

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TY - JOUR

T1 - Computed structure of small benzene clusters

AU - van de Waal, B.W.

PY - 1986

Y1 - 1986

N2 - The structures of small benzene clusters (C6H6)n, n = 2–7, have been calculated employing potential-energy minimization with respect to molecular translational and rotational coordinates, using exp-6-1 non-bonded atom-atom potential functions. The influence of the adopted point-charge model is discussed for the dimer structure.

AB - The structures of small benzene clusters (C6H6)n, n = 2–7, have been calculated employing potential-energy minimization with respect to molecular translational and rotational coordinates, using exp-6-1 non-bonded atom-atom potential functions. The influence of the adopted point-charge model is discussed for the dimer structure.

KW - IR-69698

U2 - 10.1016/0009-2614(86)87017-8

DO - 10.1016/0009-2614(86)87017-8

M3 - Article

VL - 123

SP - 69

EP - 72

JO - Chemical physics letters

JF - Chemical physics letters

SN - 0009-2614

IS - 1-2

ER -