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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Aug-2022	/Sampling Pt-2O-bulkvac-4ce3-pos_30_31_32_33-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-849.28822905; eV
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S17 S17	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1301.20500020; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/1s 1s	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GENECP	-935.494507564; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S21 S21_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1959.8570262; Eh
	20-Feb-2024	/FASnX3/FASnCl3/Cubic PBEsol-SOC	Echeverria, Carlos	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex	N/A	DFT	-	-60.96905103; eV
	19-Aug-2021	rol3-Au-Cl1	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1973.02722017; eV
	19-Aug-2021	epo2-Pt-Cl2	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2025.61182873; eV
	19-Aug-2021	epo2-Pt-Cl1	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2022.42934247; eV
	19-Aug-2021	rol3-Pt-Cl3	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1983.22436654; eV
	30-Aug-2021	fe4co4_2Li_H2O	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	GEN	-15043.9196929; Eh

Results 63481-63490 of 104471 (Search time: 0.039 seconds).