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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	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
	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
	8-Nov-2018	/water/complexes aq-piridinahgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-424.8257499; Eh
	28-Nov-2017	ol-AgCd-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-133.85113219; eV
	28-Nov-2017	ol-AgFe-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-188.51145702; eV
	1-Dec-2017	C2H5-Pd(111)	Shahrokhi, Masoud	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-183.04556141; eV
	28-Nov-2017	ol-AgFe-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-184.92079044; eV
	8-Nov-2018	/water/complexes aq-ph3hgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-519.6581374; Eh
	8-Nov-2018	/water/complexes aq-ph3aucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1859.605479; Eh

Results 22541-22550 of 104508 (Search time: 0.014 seconds).