Relativistic two-component time dependent density functional studies and Hirshfeld surface analysis of halogenated arylidenehydrazinylthiazole derivatives

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SYSNO	0572303
Title	Relativistic two-component time dependent density functional studies and Hirshfeld surface analysis of halogenated arylidenehydrazinylthiazole derivatives
Author(s)	Haroon, M. (PK) Baig, Mirza Wasif (UFCH-W) Akhtar, T. (PK) Tahir, M.N. (PK) Ashfaq, M. (PK)
Corespondence/senior	Haroon, M. - Korespondující autor Akhtar, T. - Korespondující autor
Source Title	Journal of Molecular Structure. Roč. 1287, SEP 2023 (2023). - : Elsevier
Article number	135692
Document Type	Článek v odborném periodiku
Institutional support	UFCH-W - RVO:61388955
Language	eng
Country	NL
Keywords	El-Sayed rule * Hirshfeld surface analysis (HSA) * sf-X2C-S-TD-DFT * Single crystal XRD * Spin–orbit couplings
Cooperating institutions	Mirpur University of Science and Technology University of Sargodha
URL	https://hdl.handle.net/11104/0343047
Permanent Link	https://hdl.handle.net/11104/0343047

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Number of the records: 1