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A Comparative Study of Graphynes for Sensing of Gasses (SO2 & Acetylene) Using DFT Calculations and MD Simulations

Published Online: 2024-05-21

Published Print: 2025-03

Authors

Singh, Madhur Babu

Narang, Garima

Singh, Prashant https://orcid.org/0000-0001-9648-2275
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Text and Data Mining valid from 2024-05-21

Version of Record valid from 2024-05-21
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Article History

Received: 12 March 2024

Accepted: 19 April 2024

First Online: 21 May 2024

Declarations

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: The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper. Authors convey thanks to Prof. B. Jayaram for accessing the facilities to perform computational calculations at SCFBio, IIT Delhi, India.

: Not applicable

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