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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Feb-2024	/FASnX3/FASnBr3/Cubic PBEsol	Echeverria, Carlos	vasp; 6.3.0; 20Jan22 (build Feb 3 2022 14:08:09) complex	N/A	DFT	-	-59.58329785; eV
	19-Aug-2021	111-Pd-clean	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-770.97436395; eV
	11-Feb-2022	/Pathway_c5c4_cat B1_Al	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-2221.94449429; Eh
	18-Jun-2024	/Transition_states/Pd/111 2201-1201+1001	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S10 S10_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1688.8158234; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S11 S11_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-984.1721373; Eh
	19-Aug-2021	epo2-Au-Cl3	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2025.06984701; eV
	19-Aug-2021	rol3-Ir-Cl1	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1979.42844369; eV
	19-Aug-2021	rol3-Pd-Cl2	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1978.86259296; eV
	19-Aug-2021	epo2-Ru-Cl2	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2028.27521405; eV

Results 63461-63470 of 104471 (Search time: 0.039 seconds).