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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/pbepbe Benzanaldehyde	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-31+G(D,P)	-345.186275250; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/pbepbe Water	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-31+G(D,P)	-76.3569875082; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/pbepbe NButylamine	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-31+G(D,P)	-213.533783939; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/bp86 TS2WW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RBP86	6-31+G(D,P)	-712.349961658; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/pbepbe TS2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	6-31+G(D,P)	-558.675691897; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/pbepbe Hemiaminal	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-31+G(D,P)	-558.729797438; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/pbepbe Imine	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-31+G(D,P)	-482.367450678; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/pbepbe TS2N	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	6-31+G(D,P)	-772.242715371; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/pbepbe TS2W	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	6-31+G(D,P)	-635.069918754; Eh
	27-Nov-2017	Potential energies for the adsorbed intermediates obtained from the Principal Component Regression	García Muelas, Rodrigo	-	-	-	-	-	-	-	-

Results 19641-19650 of 104510 (Search time: 0.012 seconds).