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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Feb-2024	/CsSnX3/CsSnI3/Orthorhombic PBE-SOC-HSE06	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-69.28824339; eV
	20-Feb-2024	/CsSnX3/CsSnI3/Tetragonal PBEsol-HSE06	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-34.91427129; eV
	20-Feb-2024	/CsSnX3/CsSnI3/Tetragonal PBEsol-SOC	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-31.29272187; eV
	20-Feb-2024	/CsSnX3/CsSnI3/Tetragonal PBE-HSE06	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-33.42663185; eV
	20-Feb-2024	/CsSnX3/CsSnI3/Tetragonal PBE-SOC	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-29.19232610; eV
	20-Feb-2024	/MASnX3/MASnCl3/Rhombohedral PBEsol	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 10:02:23) complex	Geometry optimization	DFT	-	-55.87149725; eV
	20-Feb-2024	/FASnX3/FASnI3/Tetragonal_P4_mbm PBEsol	Echeverria, Carlos	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex	N/A	DFT	-	-116.57319282; eV
	6-Sep-2024	/B3LYP/Nb Nb06O19-3H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
	6-Sep-2024	/B3LYP/Nb Nb10O28-1H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
	6-Sep-2024	/B3LYP/Nb Nb05O16-1H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-

Results 77421-77430 of 104126 (Search time: 0.047 seconds).