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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-May-2016	Ag2O-ts3	García, Rodrigo	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-347.94806860; eV
	17-May-2018	E1	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complex	Geometry optimization	PBE	-	-1086.25457171; eV
	8-May-2017	Ru-7-01	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-333.25461662; eV
	17-May-2018	D	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complex	Geometry optimization	PBE	-	-1087.10750893; eV
	19-May-2016	Ag2O-2H	García, Rodrigo	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-348.97961589; eV
	1-Dec-2017	/Mechanisms/No_Al/Water_Catalyzed/TS_Water TS_Water	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	-	-533.309771966; Eh
	1-Dec-2017	/Mechanisms/No_Al/Water_Catalyzed/Scans/Scan_Water_CC3/Guess Guess	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	-	-801.381602713; Eh
	1-Dec-2017	/Mechanisms/No_Al/Uncatalyzed/TS/TS_Guess2 TS_Guess2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-456.831210449; Eh
	1-Dec-2017	/Mechanisms/No_Al/Uncatalyzed/Product Product	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-456.932272340; Eh
	1-Dec-2017	/Mechanisms/No_Al/Water_Catalyzed/Ensemble_Wat/Scan Scan	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-0.308243371391; Eh

Results 22691-22700 of 104508 (Search time: 0.013 seconds).