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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Feb-2022	step_004_t_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	DEF2TZVP DEF2QZVP GEN	-26981.8800546; Eh
	11-Feb-2022	step_006_t_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	DEF2TZVP DEF2QZVP GEN	-26981.8783479; Eh
	11-Feb-2022	step_005_t_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	DEF2TZVP DEF2QZVP GEN	-26981.879438; 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/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/vacuum TS2NW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ	-849.9664305; Eh
	24-Feb-2020	/PaperStructures/Solvation/b3lyp/vacuum TS2N	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ	-773.4725162; Eh

Results 21-30 of 260 (Search time: 0.002 seconds).