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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
	8-May-2018	1_TS1	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	lanl2dz; 6-31+g(d)	-1161.74199126; 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
	8-May-2018	1_Int1b	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	lanl2dz; 6-31+g(d)	-1161.77429017; Eh
	8-May-2018	1_Int0	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06	lanl2dz; 6-31+g(d)	-1161.76642489; 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
	8-May-2018	1_R_TD	Fernández, Víctor	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RTD-M06-FC	lanl2dz; 6-31+g(d)	-1011.53613937; Eh
	8-Nov-2018	/water/complexes aq-smehgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-614.7846539; Eh
	9-Nov-2018	/vacuum/complexes pcl3fecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+g; sdd*	-2766.10329349; Eh
	28-Jan-2019	Sys1_T3	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-1658.78579950; Eh

Results 291-300 of 12842 (Search time: 0.003 seconds).