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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Oct-2019	ircrev_water_sp2_ts_pdpme32_c_transnoulliu_fromDMF_calcall6	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	-	6-31+G(D,P) SDD	-3853.30878901; Eh
	9-Nov-2018	/noDisp/complexes sin-h2hgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-177.6372888; Eh
	9-Nov-2018	/noDisp/complexes sin-fincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1022.2767433; Eh
	5-Nov-2018	_OH-static_b_6	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-177.83227935; eV
	5-Nov-2018	_CN-static_h_4	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-183.08236944; eV
	5-Nov-2018	_F-static_h_4	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-171.14609594; eV
	5-Nov-2018	_F_j2_5	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-171.58855642; eV
	8-May-2019	/CoN4 CoN4-CO	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-665.84540766; eV
	9-Nov-2018	/noDisp/complexes sin-fenilomewco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-980.1441016; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilomeznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-613.2296895; Eh

Results 22021-22030 of 103529 (Search time: 0.012 seconds).