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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/b3lyp_631dp_PCM TS2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31+G(D,P)	-559.401079161; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/b3lyp_631dp_PCM TS2NW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31+G(D,P)	-849.741018160; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/b3lyp_631dp_PCM TS2N	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31+G(D,P)	-773.270091974; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/b3lyp_6311dp Benzanaldehyde	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311++G(D,P)	-345.690848921; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/b3lyp_631dp_PCM TS2WW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31+G(D,P)	-712.345489954; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/b3lyp_6311dp NButylamine	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311++G(D,P)	-213.888435485; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/b3lyp_6311dp Water	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311++G(D,P)	-76.4666576560; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/b3lyp_6311dp Hemiaminal	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311++G(D,P)	-559.584580724; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/b3lyp_6311dp Imine	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311++G(D,P)	-483.116128145; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/b3lyp_6311dp TS2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-311++G(D,P)	-559.529599126; Eh

Results 291-300 of 764 (Search time: 0.002 seconds).