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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
26-Oct-2017	/Organic_path_a 1a	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization TS	DFT	DZP	-
26-Oct-2017	/Organic_path_a 1a_	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization TS	DFT	DZP	-4.05149871; Eh
26-Oct-2017	/Organic_path_a 2a	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization TS	DFT	DZP	-4.15348850; Eh
26-Oct-2017	/Organic_path_a 2a_	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization TS	DFT	DZP	-4.15547296; Eh
26-Oct-2017	/Organic_path_a TSa	Bandeira, Nuno	ADF; 2013; 01	TS	DFT	DZP	-4.02814516; Eh
26-Oct-2017	/Organic_path_a TSa_	Bandeira, Nuno	ADF; 2013; 01	TS	DFT	DZP	-4.02771758; Eh
26-Oct-2017	/Organic_path_b 1b	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization TS	DFT	DZP	-4.04401733; Eh
26-Oct-2017	/Organic_path_b 1b_	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization TS	DFT	DZP	-4.05331892; Eh
26-Oct-2017	/Organic_path_b 2b	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization TS	DFT	DZP	-4.15845512; Eh
26-Oct-2017	/Organic_path_b 2b_	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization TS	DFT	DZP	-4.14947249; Eh
26-Oct-2017	/Organic_path_b TSb	Bandeira, Nuno	ADF; 2013; 01	TS	DFT	DZP	-4.02593799; Eh
26-Oct-2017	/Organic_path_b TSb_	Bandeira, Nuno	ADF; 2013; 01	TS	DFT	DZP	-4.02207163; Eh
26-Oct-2017	/Path_a 1a	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization	DFT	DZP; TZP	-29.17197170; Eh
26-Oct-2017	/Path_a 1a_	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization	DFT	DZP; TZP	-29.15213130; Eh
26-Oct-2017	/Path_a 2a	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization	DFT	DZP; TZP	-29.27047438; Eh
26-Oct-2017	/Path_a 2a_	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization	DFT	DZP; TZP	-29.24749316; Eh
26-Oct-2017	/Path_a Mo14-HC2COO	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization TS	DFT	DZP; TZP	-
26-Oct-2017	/Path_a N3CH2COOH	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization TS	DFT	DZP	-2.37019365; Eh
26-Oct-2017	/Path_a TSa	Bandeira, Nuno	ADF; 2013; 01	TS	DFT	DZP; TZP	-29.14261068; Eh
26-Oct-2017	/Path_a TSa_	Bandeira, Nuno	ADF; 2013; 01	TS	DFT	DZP; TZP	-29.12969084; Eh

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