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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/II_H_Cp II_H_Cp	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-967.885749345; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S30 S30_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1769.2048054; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/II_H_Cp II_H_Cp_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-968.112706; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S9 S9_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1688.8153208; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S7 S7_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-531.3674766; Eh
	16-Jan-2026	/FG_dataset/group2/zn/0001 zn-4a13-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-134.46627925; eV
	11-Feb-2022	/Pathway_c4c5_cat Int1_k2	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-4796.28781513; Eh
	11-Feb-2022	/Pathway_c4c5_cat Int4_k2	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-4796.30450578; Eh
	11-Feb-2022	/Pathway_c4c5_cat Int4_Lig	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-4796.28079665; Eh
	11-Feb-2022	/Pathway_c4c5_cat TS5_LS	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-4796.27971742; Eh

Results 63421-63430 of 104471 (Search time: 0.036 seconds).