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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/OEp_Insertion/Bimetallic/Ensemble_CC Ensemble_CC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-3865.26739767; Eh
	1-Dec-2017	/Mechanisms/OEp_Insertion/Bimetallic/L_Carbonate/Alter Alter	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-3865.27287891; Eh
	1-Dec-2017	/Mechanisms/OEp_Insertion/Bimetallic/Scan_CC4/Next Next	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-3864.39955943; Eh
	1-Dec-2017	/Mechanisms/OEp_Insertion/Bimetallic/Scan_RO/Zoom Zoom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-3675.86112490; Eh
	1-Dec-2017	/Mechanisms/Alternative_Mechanisms/Chelate_EpOH/1Al_Oh/Scan_2D/Guess/Opt Opt	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-2026.87851678; Eh
	1-Dec-2017	/Mechanisms/OEp_Insertion/Bimetallic/Scan_Isom Scan_Isom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-3864.42406197; Eh
	1-Dec-2017	/Mechanisms/Alternative_Mechanisms/Chelate_EpOH/1Al_Oh/Scan_2D/Zoom_SmallBasis Zoom_SmallBasis	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.39160825; Eh
	1-Dec-2017	/Mechanisms/Alternative_Mechanisms/Chelate_EpOH/1Al_Oh_Ep/Hemi_Carb Hemi_Carb	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.89267373; Eh
	1-Dec-2017	/Mechanisms/OEp_Insertion/Bimetallic/Scan_Insertion2/Zoom Zoom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-3864.40767585; Eh
	1-Dec-2017	/Mechanisms/OEp_Insertion/Bimetallic/Scan_CC Scan_CC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-3864.40729528; Eh

Results 10581-10590 of 104079 (Search time: 0.022 seconds).