Computational study on the endohedral isomers of C<inf>60</inf>H<inf>2</inf>

E. Cervelló, P. Ivanov, C. Jaime

Research output: Contribution to journalArticleResearchpeer-review

Abstract

A computational study (MM3 and PM3) on the endohedral isomers of C60H2 has been carried out. The exohedral isomers were computed by MM3. A comparison between the computed properties for both isomers is also presented.
Original languageEnglish
Pages (from-to)67-86
JournalFullerene Science and Technology
Volume4
Issue number1
DOIs
Publication statusPublished - 1 Jan 1996

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