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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Feb-2020	/SupportingStructures/Benchmark/m06 Imine	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G(D,P)	-482.618647754; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/m06 TS2WW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G(D,P)	-711.835861501; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/m06 TS2W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G(D,P)	-635.405568359; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/m06 TS2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G(D,P)	-558.966503009; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/m062x Hemiaminal	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-559.180059683; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/m062x Imine	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-482.766459664; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/m062x TS2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	6-31+G(D,P)	-559.108836365; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/bp86 TS2W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RBP86	6-31+G(D,P)	-635.881560308; Eh
	8-Nov-2018	/water/complexes aq-sime3ircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1313.4027292; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/b3lyp_6311dp TS2WW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-311++G(D,P)	-712.519524070; Eh

Results 661-670 of 12842 (Search time: 0.004 seconds).