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

Research output: Contribution to journal › Article › Academic

93 Citations (Scopus)

277 Downloads (Pure)

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

Waal86computed

Cite this

@article{70af6fa634964dd685626a303be71ca3,

title = "Computed structure of small benzene clusters",

abstract = "The structures of small benzene clusters (C6H6)n, n = 2{\textendash}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.",

keywords = "IR-69698",

author = "\{van de Waal\}, B.W.",

year = "1986",

doi = "10.1016/0009-2614(86)87017-8",

language = "Undefined",

volume = "123",

pages = "69--72",

journal = "Chemical physics letters",

issn = "0009-2614",

publisher = "Elsevier",

number = "1-2",

}

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

SN - 0009-2614

VL - 123

SP - 69

EP - 72

JO - Chemical physics letters

JF - Chemical physics letters

IS - 1-2

ER -