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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-May-2018	ADS_a6_ac	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	PBE	-	-2006.98295175; eV
	8-May-2017	Ru-8-06	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-351.43814140; eV
	8-May-2017	Ru-4-53	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-345.76453760; eV
	8-Nov-2018	/water/complexes aq-piridinaaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1764.7645797; Eh
	9-Nov-2018	/vacuum/complexes omeauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-594.078064337; Eh
	2-Aug-2018	MDsnap_trimer2_460	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2223.91796518; eV
	28-Nov-2017	ol-AgFe-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-209.91420394; eV
	28-Nov-2017	ol-AgAu-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-142.77238952; eV
	16-May-2018	HH_a6_ts	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	PBE	-	-1988.82803069; eV
	1-Dec-2017	TS-HCCH2-C2H4-on-Pd(111)	Shahrokhi, Masoud	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-174.59258717; eV

Results 10001-10010 of 103542 (Search time: 0.016 seconds).