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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 Benzanaldehyde	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G(D,P)	-345.362117462; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/m06 Hemiaminal	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G(D,P)	-559.031851955; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/m06 NButylamine	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G(D,P)	-213.658816439; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/m06 Water	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G(D,P)	-76.4063652861; Eh
	30-Sep-2021	/Water/TS_water ch3cf3-cf3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-715.439410774; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/m062x Benzanaldehyde	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-345.453217531; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/m062x NButylamine	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-31+G(D,P)	-213.710110806; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/m06 TS2NW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31+G(D,P)	-849.086753965; Eh
	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

Results 651-660 of 12842 (Search time: 0.003 seconds).