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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/AgBr AgBr_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-159.0126885; Eh
	23-Feb-2021	Fe3_3CO-C2H4-H2-sigma	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1994.52054716; eV
	23-Feb-2021	Fe3_3CO-H2-sigma	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1978.60063560; eV
	23-Feb-2021	Fe3_2CO-C2H5	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1995.32642537; eV
	23-Feb-2021	Fe3_2CO-C2H2	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1986.05201092; eV
	23-Feb-2021	Fe-s_2CO-C2H6	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1980.68039439; eV
	23-Feb-2021	naked_SAC_H2-sigma	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1913.87859255; eV
	26-Nov-2021	/Optimized_Structures Center_of_Cluster_2_(S)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB2PLYP-FC	DEF2TZV	-1408.0063395; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/III_Br_Cpstar III_Br_Cpstar_more	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1216.34961256; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/AgBr AgBr	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LANL2DZ GENECP	-159.009407267; Eh

Results 34631-34640 of 103542 (Search time: 0.046 seconds).