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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Mar-2018	L5c_S1_DMM_TS_exo_S	Biosca, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-
	23-Mar-2018	L5c_S1_DMM_TS_exo_S_trans	Biosca, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G; lanl2dz*	-3758.95952759; Eh
	23-Mar-2018	L5c_S1_DMM_TS_endo_trans	Biosca, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G; lanl2dz*	-3758.96161329; Eh
	23-Mar-2018	L5c_S1_DMM_TS_exo	Biosca, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-31G; lanl2dz*	-3758.96184958; Eh
	9-Nov-2018	/vacuum/complexes nh2rush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1746.21541464; Eh
	8-May-2019	/MnN4 MnN4-H	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-655.62527831; eV
	2-Aug-2018	N6-edge-AuCl@CN	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2915.87423880; eV
	2-Aug-2018	N6-edge-Au@CN	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2911.63999654; eV
	2-Aug-2018	frequency59	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-2068.17201685; eV
	2-Aug-2018	frequency4	Fako, Edvin	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Frequencies	DFT	-	-6.76521098; eV

Results 13861-13870 of 103542 (Search time: 0.011 seconds).