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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Dec-2017	/Mechanisms/OH_Insertion/Monometallic/Scans/Scan_FC3 Scan_FC3	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-3596.15704245; Eh
	1-Dec-2017	/Mechanisms/No_Al/Uncatalyzed/Scans/Scan_FC_Ep/2Ep 2Ep	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	-	-	-993.226903925; Eh
	1-Dec-2017	/Mechanisms/No_Al/Uncatalyzed/Scans/Scan_2 Scan_2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-456.786692283; Eh
	1-Dec-2017	/Mechanisms/No_Al/Uncatalyzed/TS/Scan2 Scan2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPM6	-	-0.217608961065; Eh
	1-Dec-2017	/Mechanisms/No_Al/Water_Catalyzed/TS_Water/After_COOH After_COOH	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-533.351757084; Eh
	1-Dec-2017	/Mechanisms/OH_Insertion/Monometallic/Scans/Scan_Insertion_OH2 Scan_Insertion_OH2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.42161917; Eh
	1-Dec-2017	/Mechanisms/No_Al/Water_Catalyzed/Scans/Scan_Water_CC3/Guess/Guess Guess	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-801.383432752; Eh
	1-Dec-2017	/Mechanisms/No_Al/Water_Catalyzed/Ensemble_Wat/TS_Guess/Guess2 Guess2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-533.297984094; Eh
	1-Dec-2017	/Mechanisms/No_Al/Uncatalyzed/Carb_Ep Carb_Ep	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-725.229777726; Eh
	1-Dec-2017	/Mechanisms/No_Al/Water_Catalyzed/Scans/Scan_Water_CC3/Ensemble Ensemble	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-801.435311807; Eh

Results 22711-22720 of 104508 (Search time: 0.014 seconds).