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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-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/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	/CsSnX3/CsSnI3/Cubic PBE-HSE06	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-16.67664293; eV
	20-Feb-2024	/CsSnX3/CsSnCl3/Cubic PBE-SOC	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-17.62664206; eV
	20-Feb-2024	/CsSnX3/CsSnI3/Orthorhombic PBE	Echeverria, Carlos	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex	N/A	DFT	-	-56.37420106; eV
	20-Feb-2024	/CsSnX3/CsSnCl3/Cubic PBEsol	Echeverria, Carlos	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex	N/A	DFT	-	-18.35942112; eV
	28-Nov-2024	TSInt1c-2c	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-3544.46897466; Eh
	28-Nov-2024	Int1d	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-3544.47956785; Eh
	28-Nov-2024	H	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-3297.22840591; Eh
	28-Nov-2024	K	Escofet, Imma	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-2852.19638990; Eh

Results 3901-3910 of 101953 (Search time: 0.006 seconds).