4 years ago

Comprehensive theoretical study of all 1812 C60 isomers

Comprehensive theoretical study of all 1812 C60 isomers
Stefan Grimme, Rebecca Sure, Peter Schwerdtfeger, Andreas Hansen
All 1812 C60 isomers are investigated with high-level quantum chemical methods to benchmark semiempirical approaches and find appropriate stability criteria.

Publisher URL: http://feeds.rsc.org/~r/rss/CP/~3/OrEpaH9mB14/C7CP00735C

DOI: 2017/CP/C7CP00735C

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