Polycyclohexanes: Quantum-chemical models View Full Text


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Article Info

DATE

2011-07

AUTHORS

T. B. Nguen, R. M. Minyaev, V. I. Minkin

ABSTRACT

The steric and electronic structures of organic polymeric structures based on cyclohexane and dodecahydrophenalene were studied in terms of the density functional theory (B3LYP/6-31G*). The examined systems were found to be structurally stable, and their geometric parameters did not differ very strongly from those typical of diamond-like reference structure. Only dodecahydrophenalene-based systems turned out to be auxetic. More... »

PAGES

974

Identifiers

URI

http://scigraph.springernature.com/pub.10.1134/s1070428011070025

DOI

http://dx.doi.org/10.1134/s1070428011070025

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1006103760


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