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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Feb-2019	sa-RuOs-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-432.86944095; eV
	11-May-2018	/metastable1h2o_with_lithium NB10_Li_C2_EH_freq	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-2798.47762860; Eh
	11-May-2018	/positionsp1p2p3 NB10_Cs_opt_freq_pos2_ra	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-2697.49165806; Eh
	11-May-2018	/positionsp1p2p3 NB10_Cs_opt_freq_pos1_ra	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-2697.49082139; Eh
	11-May-2018	/mechanism_cesium NB10_Cs_C1_EHFHEH	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-3027.04558943; Eh
	11-May-2018	/mechanism_cesium NB10_Cs_C1_EHFH	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-2950.68609238; Eh
	19-Mar-2026	/VW V00W04O15-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-6.69513799; Eh
	19-Mar-2026	/Nb Nb09O27-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-12.72478786; Eh
	12-Feb-2019	sa-RuIr-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-430.62820131; eV
	12-Feb-2019	sa-RuCu-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-424.97541626; eV

Results 12631-12640 of 104079 (Search time: 0.01 seconds).