Affiliation:
1. Institute of Physics, University of Freiburg , 79104 Freiburg (Breisgau), Germany
Abstract
We present a study of the potential energy surface of anthracene, tetracene, and pentacene clusters with up to 30 molecules. We have applied the basin-hopping Monte Carlo algorithm to clusters of acene molecules in order to find their lowest energy states. The acene molecules are described by the polymer-consistent force field–interface force field. We present the structures with the lowest observed energy, and we discuss the relative stability and accessibility of structures corresponding to local energy minima.
Funder
Deutsche Forschungsgemeinschaft
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Cited by
1 articles.
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