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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Dec-2017	/Mechanisms/No_Al/Uncatalyzed/Scans/Scan_2_5 Scan_2_5	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-456.832506666; Eh
	1-Dec-2017	/Mechanisms/No_Al/Water_Catalyzed/TS_Water/Freq Freq	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RwB97XD	-	-533.309771966; Eh
	1-Dec-2017	/Mechanisms/No_Al/Uncatalyzed/COOH COOH	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-456.898051585; Eh
	1-Dec-2017	/Mechanisms/No_Al/Water_Catalyzed/Scans/Scan_Water_CC2/Zoom Zoom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	-	-	-533.094207926; Eh
	1-Dec-2017	/Mechanisms/OH_Insertion/Monometallic/Scans/Scan_FC3/Freq_Zoom Freq_Zoom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	-	-3596.10310209; Eh
	1-Dec-2017	/Mechanisms/No_Al/Water_Catalyzed/Scans/Scan_Water_CC3 Scan_Water_CC3	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-801.388909736; Eh
	1-Dec-2017	/Mechanisms/Side_Intermediates/Ens_Chelate_CO2 Ens_Chelate_CO2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.89463349; Eh
	1-Dec-2017	/Mechanisms/OH_Insertion/Monometallic/Scans/Scan_Insertion/Test Test	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	-	-3596.10990027; Eh
	1-Dec-2017	/Mechanisms/No_Al/Water_Catalyzed/TS_CC_2Water/TZDP TZDP	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	-	-878.081850399; Eh
	1-Dec-2017	/Mechanisms/No_Al/Uncatalyzed/TS/TS_Guess/Frozen Frozen	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-456.856495466; Eh

Results 10331-10340 of 104079 (Search time: 0.008 seconds).