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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/pbe1pbe TS2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	6-31+G(D,P)	-558.729441752; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/pbe1pbe TS2NW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	6-31+G(D,P)	-848.717458367; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/pbe1pbe TS2N	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	6-31+G(D,P)	-772.334853778; Eh
	24-Feb-2020	/SupportingStructures/Benchmark/pbe1pbe TS2WW	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	6-31+G(D,P)	-711.507537035; Eh
	11-May-2018	/positionsp1p2p3 NB10_K_opt_freq_pos2_ra	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-2705.65552348; Eh
	11-May-2018	/positionsp1p2p3 NB10_K_opt_freq_pos1_ra	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-2705.65132226; Eh
	11-May-2018	/positionsp1p2p3 NB10_Li_opt_freq_pos3_ra	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-2684.84691913; Eh
	11-May-2018	/positionsp1p2p3 NB10_Li_opt_freq_pos2_ra_sp	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-2684.86205068; Eh
	11-May-2018	/positionsp1p2p3 NB10_Rb_opt_freq_pos2_ra	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-2701.43239168; Eh
	11-May-2018	/mechanism_cesium NB10_Cs_C1_EHFHEHCHCH	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-3179.73984370; Eh

Results 121-130 of 227 (Search time: 0.002 seconds).