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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jan-2026	/FG_dataset/aromatics/os/0001 os-4411-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-576.75954715; eV
	20-Feb-2024	/CsSnX3/CsSnBr3/Tetragonal PBE-SOC-HSE06	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-76.40197596; eV
	20-Feb-2024	/CsSnX3/CsSnBr3/Tetragonal PBEsol-HSE06	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-78.20802849; eV
	20-Feb-2024	/CsSnX3/CsSnCl3/Cubic PBE-SOC-HSE06	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-20.98896232; eV
	20-Feb-2024	/CsSnX3/CsSnCl3/Cubic PBEsol-HSE06	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-21.46353074; eV
	20-Feb-2024	/CsSnX3/CsSnI3/Cubic PBEsol-HSE06	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-17.40564672; eV
	20-Feb-2024	/CsSnX3/CsSnCl3/Cubic PBEsol-SOC	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-18.49870247; eV
	20-Feb-2024	/MASnX3/MASnCl3/Triclinic PBEsol-SOC	Echeverria, Carlos	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex	N/A	DFT	-	-112.27873378; eV
	28-Nov-2024	Int2b	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-3845.10934148; Eh
	28-Nov-2024	Int1b	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-3845.08789035; Eh

Results 78571-78580 of 104126 (Search time: 0.048 seconds).