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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/Alternative_Mechanisms/Chelate_EpOH/1Al_Oh/Scan_2D/Zoom_SmallBasis/Guess/Opt	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-2026.42689522; Eh
	1-Dec-2017	/Mechanisms/Alternative_Mechanisms/Chelate_EpOH/1Al_Oh/Scan_2D/Scan_1D/Guess/Restart	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-2026.87969986; Eh
	1-Dec-2017	/Mechanisms/Alternative_Mechanisms/Chelate_EpOH/1Al_Oh/Scan_2D/Scan_1D/Guess Guess	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-2026.87993693; Eh
	1-Dec-2017	/Mechanisms/Alternative_Mechanisms/Chelate_EpOH/1Al_Oh_Ep/Hemi_Carb/Frozen Frozen	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-2026.87243480; Eh
	1-Dec-2017	/Mechanisms/Alternative_Mechanisms/Chelate_EpOH/1Al_Oh/Scan_2D/Freq Freq	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-2026.36178344; Eh
	1-Dec-2017	/Mechanisms/Alternative_Mechanisms/Chelate_EpOH/1Al_Oh/Scan/Relaxed Relaxed	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-2026.87250877; Eh
	1-Dec-2017	/Mechanisms/Alternative_Mechanisms/Chelate_EpOH/1Al_Oh/Scan_2D/Guess Guess	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-2026.81653732; Eh
	1-Dec-2017	/Mechanisms/Alternative_Mechanisms/Chelate_EpOH/1Al_Oh/TS_2/Freq Freq	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-2026.82324648; Eh
	1-Dec-2017	/Mechanisms/OEp_Insertion/Bimetallic/Scan_Isom/Guess Guess	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-3864.40294213; Eh
	1-Dec-2017	/Mechanisms/Alternative_Mechanisms/Chelate_EpOH/1Al_Oh_Ep/Scan_H/Next Next	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-1837.53564344; Eh

Results 111-120 of 169 (Search time: 0.002 seconds).