Search results>Research output from Sirnak University Institutional Repository
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oaioai:share.osf.io:22e1b3fe-4fcf-4160-931d-d73c04cdc467

Th@C84 revisited: Lost in the corners of one's own cage

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Publication date
10 February 2026
Publisher
'Center for Open Science'

Abstract

The uploaded data folders contain input files for optimizations of Th@C84 structures (pre-optimization and re-optimization), and calculations of NMR and UV-vis properties. All calculations were performed using Gaussian 16

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This paper was published in Sirnak University Institutional Repository.

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