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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_Ep_H Scan_Ep_H	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	RwB97XD	-	-1838.27808744; Eh
	1-Dec-2017	/Mechanisms/No_Al/Water_Catalyzed/TS_CC_2Water/TZDP/After After	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-878.163455104; 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	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	-	-456.831055199; 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
	1-Dec-2017	/Mechanisms/No_Al/Uncatalyzed/Scans/Scan_2_6 Scan_2_6	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	-	-	-456.694185898; Eh
	1-Dec-2017	/Mechanisms/No_Al/Uncatalyzed/Scans/Scan_2D Scan_2D	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	-	-	-0.194357908096; 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/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/Water_Catalyzed/TS_Water/After_COOH After_COOH	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-533.351757084; Eh

Results 10301-10310 of 104079 (Search time: 0.031 seconds).