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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 TS2N	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G(D,P)	-772.651353716; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/m062x Water	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-76.4034997987; Eh
	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
	18-Oct-2017	/No_Solvent/IC_HLigand IC_HLigand	González Fabra, Joan	ADF; 2016	Single point	DFT	TZ2P	-

Results 2931-2940 of 106051 (Search time: 0.004 seconds).