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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 Water	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-31+G(D,P)	-76.3569875082; Eh
	29-Feb-2016	TS3b-trans-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3793.37118164; Eh
	4-Jan-2026	cop3p5_NMR	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	DEF2TZVP GEN	-4112.8675767; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/pbepbe TS2NW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	6-31+G(D,P)	-848.625495459; 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
	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
	10-Jul-2017	Keggin-M_diss(no-O4H)	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Geometry optimization	-	-	-539.53194678; eV
	10-Jul-2017	Keggin-TS_epim(no-O4H)	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Geometry optimization	-	-	-538.51914430; eV
	29-Feb-2016	Int3b-trans-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-3793.37973207; Eh

Results 3051-3060 of 103083 (Search time: 0.006 seconds).