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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Feb-2020	/PaperStructures/TS TS2WW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	CC-PVTZ	-712.566653188; Eh
	24-Feb-2020	/PaperStructures/TS TS1NW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	CC-PVTZ	-850.013761948; Eh
	24-Feb-2020	/PaperStructures/Solvation/b3lyp/vacuum Benzaldehyde	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ	-345.7069744; Eh
	24-Feb-2020	/PaperStructures/TS TS2NW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	CC-PVTZ	-849.998025454; Eh
	9-Nov-2018	/vacuum/complexes omemno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-445.092003025; Eh
	24-Feb-2020	/PaperStructures/Solvation/b3lyp/vacuum NButylamine	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ	-213.8956704; Eh
	24-Feb-2020	/PaperStructures/Solvation/b3lyp/vacuum Hemiaminal	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ	-559.6117414; Eh
	24-Feb-2020	/PaperStructures/Solvation/b3lyp/vacuum Imine	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ	-483.1424774; Eh
	24-Feb-2020	/PaperStructures/Solvation/b3lyp/vacuum Water	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ	-76.4598287; Eh
	24-Feb-2020	/PaperStructures/Solvation/b3lyp/solution Benzaldehyde	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVTZ	-345.719632320; Eh

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