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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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_Li_opt_freq_pos3_ra	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-2684.84691913; 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
	29-Feb-2016	TS2b1-cis	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-1998.46591277; Eh
	11-May-2018	/positionsp1p2p3 NB10_Li_opt_freq_pos1_ra	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-2684.84905712; Eh
	11-May-2018	/positionsp1p2p3 NB10_Li_opt_freq_pos2_ra	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-2684.86205068; Eh
	11-May-2018	/positionsp1p2p3 NB10_Rb_opt_freq_pos1_ra	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-2701.43091856; Eh
	11-May-2018	/mechanism_without_alkali NB10_opt_EHFH	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-2830.06806704; Eh
	11-May-2018	/positionsp1p2p3 NB10_Rb_opt_freq_pos3_ra	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-2701.42999437; Eh
	11-May-2018	/metastable1h2o_without_alkali NB10_opt_DH	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-2753.72069476; Eh

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