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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-May-2019	CP-3Pd-i20	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1120.31061379; eV
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/II_NO2_Cpstar II_NO2_Cpstar	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1408.20271049; Eh
	21-Jun-2019	/RealCat Int-Ni	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1713.61150515; Eh
	21-Jun-2019	/RealCat Prev	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1713.56518219; Eh
	21-Jun-2019	/RealCat Cat_	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1329.73785248; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSCH2_4 TSCH2_4	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1688.41658715; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/VI_prima/NBO VI_prima	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1473.3254834; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSCH2_4 TSCH2_4_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1688.7549395; Eh
	21-Apr-2021	_Fe3_bare_TS1	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-1953.51167296; eV
	6-May-2019	CP-3Pd-i21	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1128.95715772; eV

Results 34791-34800 of 103542 (Search time: 0.021 seconds).