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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/CsSnCl3/Cubic PBEsol-SOC-HSE06	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-21.63684763; 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/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	/FASnX3/FASnI3/Orthorhombic_Pnma PBEsol	Echeverria, Carlos	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex	N/A	DFT	-	-233.11911280; 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
	20-Feb-2024	/CsSnX3/CsSnI3/Orthorhombic PBEsol-SOC	Echeverria, Carlos	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex	N/A	DFT	-	-62.99139337; eV
	20-Feb-2024	/CsSnX3/CsSnBr3/Cubic PBE	Echeverria, Carlos	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex	N/A	DFT	-	-15.83760484; eV
	28-Nov-2024	TSInt1b-2b	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RBP86	6-31G SDD GENECP*	-3845.08757779; Eh
	28-Nov-2024	Int2c	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-3544.48386112; Eh
	28-Nov-2024	Int1c	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-3544.47524498; Eh

Results 3181-3190 of 101944 (Search time: 0.004 seconds).