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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_Cs_opt_freq_pos3_ra	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-2697.49015850; Eh
	11-May-2018	/positionsp1p2p3 NB10_K_opt_freq_pos3_ra	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-2705.65015424; Eh
	2-Aug-2018	MDsnap_trimer1_780	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2223.96219635; eV
	2-Aug-2018	MDsnap_trimer1_620	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2221.53853049; eV
	2-Aug-2018	MDsnap_trimer1_600	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.41488202; eV
	12-Feb-2019	sa-RuNi-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-427.04777151; eV
	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_BHOPEN_freq	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-2798.47882209; Eh
	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

Results 10701-10710 of 104592 (Search time: 0.009 seconds).