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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Jul-2025	/termination/A1_term/Clean Clean	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-941.90589118; eV
	2-Jul-2025	/termination/Sn_term/MO2 MO2	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-818.47758101; eV
	2-Jul-2025	/termination/Sn_term/M/HSE HSE	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-1010.91776590; eV
	2-Jul-2025	/termination/I_term/MH/ZPE ZPE	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-815.82136625; eV
	2-Jul-2025	/bulk/4fpsi_bulk 4fpsi_bulk	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-534.92575293; eV
	2-Jul-2025	/scan/chem_pot_scan/chem_pot/I2 I2	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-40.54244772; eV
	2-Jul-2025	/termination/A2_term/M M	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-940.09518939; eV
	2-Jul-2025	/termination/A1_term/H2O H2O	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-13.50867122; eV
	5-Nov-2025	substrate-1a-DM	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	DEF2TZVP	-561.7856464; Eh
	5-Nov-2025	T2-1a-DM	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	DEF2TZVP	-761.7774761; Eh

Results 98601-98610 of 98612 (Search time: 0.064 seconds).