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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Jun-2023	tsDrotjp	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-2023.23649385; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TS_H_Cpstar_II_III/NBO TS_H_Cpstar_II_III_nbo	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1203.7499051; Eh
	1-Mar-2022	Pt-3O-1Ce3-34	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-855.92170432; eV
	1-Mar-2022	Pt-3O-0Ce3-00	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-856.17871994; eV
	11-Feb-2022	/Pathway_c4c5_cat Int3	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-4796.27945877; Eh
	11-Feb-2022	/Pathway_c4c5_cat TS1	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-4796.24961430; Eh
	27-Jun-2023	SP_tsZ-B3	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-2016.276595; Eh
	27-Jun-2023	tsE-C3jp	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-2215.00880235; Eh
	27-Jun-2023	NBO_tsZ-G2	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1100.7508212; Eh
	1-Mar-2022	Pt-3O-2Ce3-28_31	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-855.96858346; eV

Results 62861-62870 of 104471 (Search time: 0.039 seconds).