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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_pos1_ra	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-2697.49082139; Eh
	11-May-2018	/mechanism_cesium NB10_Cs_C1_EHFH	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-2950.68609238; Eh
	8-May-2019	/MnN4-O MnN4-O-clean	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-659.05412789; eV
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ag_metal_ads TDA_ads_Ag_111	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-304.30598850; eV
	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-RuPd-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-426.81810365; eV
	12-Feb-2019	sa-RuFe-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-430.04290927; eV
	8-Nov-2018	/water/complexes aq-shrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-891.2515379; Eh
	11-May-2018	/mechanism_cesium NB10_Cs_C1_EHFHEHCH	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-3103.39198418; Eh
	11-May-2018	/mechanism_cesium NB10_Cs_C1_EHFHEH	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-3027.04558943; Eh

Results 10711-10720 of 104592 (Search time: 0.008 seconds).