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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Jul-2019	COD	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G* GEN*	-312.015145030; Eh
	17-Jul-2019	NiCOD	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-311G* GEN*	-793.391945770; Eh
	17-Jul-2019	Post-TS2-adduct-mono	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-311G* GEN*	-2017.82202830; Eh
	1-Dec-2017	/Racemization/Scan_H Scan_H	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-783.811400163; Eh
	1-Dec-2017	/Racemization/Scan_H/TS_FAIL TS_FAIL	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-783.832304928; Eh
	29-Sep-2017	7major_tbu_solv	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	lanl2dz; 6-31+g(d)	-4183.24726772; Eh
	29-Sep-2017	1	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+g(d)	-440.126977109; Eh
	29-Sep-2017	4_tbu_solv	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	lanl2dz; 6-31+g(d)	-2765.21130896; Eh
	29-Sep-2017	5_e_solv	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	lanl2dz; 6-31+g(d)	-2123.19469209; Eh
	29-Sep-2017	2_Me	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	lanl2dz; 6-31+g(d)	-2354.69754347; Eh

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