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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Sep-2023	(2,1,2)_2	Mates Torres, Eric	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-755.21891165; eV
	26-Sep-2023	(0,1,0)_2	Mates Torres, Eric	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-281.01542565; eV
	26-Sep-2023	(3,3,1)_2	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-1317.05484998; eV
	26-Sep-2023	(3,1,2)_1	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-1324.23542066; eV
	26-Sep-2023	(2,0,3)_1	Mates Torres, Eric	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-824.23045481; eV
	26-Sep-2023	(0,1,2)_3	Mates Torres, Eric	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-572.86082031; eV
	26-Sep-2023	(0,1,2)_1	Mates Torres, Eric	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-573.01930345; eV
	26-Sep-2023	(1,1,3)_2	Mates Torres, Eric	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-954.76759025; eV
	26-Sep-2023	(1,0,1)_1	Mates Torres, Eric	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 13:49:53) gamma-only	N/A	DFT	-	-375.66532481; eV
	8-Apr-2024	/figureS1 1I4Z	Mu, Manting	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31+G(D,P) GEN	-1618.21864992; Eh

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