Winkler, Björn and Milman, Victor (1998) Structure and properties of supercubane from density functional calculations. Chemical Physics Letters, 293 (3-4). pp. 284-288. DOI 10.1016/s0009-2614(98)00762-3.

Full text not available from this repository.

Abstract

The structure and properties of supercubane have been calculated within density functional theory. The cohesive energy of supercubane is calculated to be larger than that of BC-8-carbon at ambient pressure. Supercubane would not be a high-density polymorph, as at ambient pressure its density is only 2.9 g/cm3. The structural parameters obtained for supercubane are discussed and shown to be consistent with experimental data for molecular cubane compounds.

Document Type:	Article
Research affiliation:	Kiel University
Refereed:	No
Date Deposited:	02 Feb 2012 09:17
Last Modified:	23 Sep 2019 23:20
URI:	https://oceanrep.geomar.de/id/eprint/16378

Actions (login required)

View Item