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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Dec-2017	/Extra_Calculations/tBu_Ligand/Cat_tBu Cat_tBu	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2277.61120227; Eh
	1-Dec-2017	/Mechanisms/OEp_Insertion/Monometallic/Carbonate Carbonate	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2294.80777091; Eh
	1-Dec-2017	/Extra_Calculations/O_Al_BondAnalysis/Ep/Ep Ep	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-153.783128869; Eh
	1-Dec-2017	/Mechanisms/OEp_Insertion/Monometallic/Methyl_Model/Scan_RO/Scan_2D Scan_2D	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-1953.07285749; Eh
	1-Dec-2017	/Extra_Calculations/Dimer/IC IC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-3408.33778402; Eh
	1-Dec-2017	/Mechanisms/OEp_Insertion/Monometallic/Methyl_Model/Scan_Insertion Scan_Insertion	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2141.70339246; Eh
	1-Dec-2017	/Mechanisms/OEp_Insertion/Monometallic/Methyl_Model/Scan_Isom Scan_Isom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2141.73114727; Eh
	1-Dec-2017	/Extra_Calculations/tBu_Ligand/Carbonate_tBu/Relaxed Relaxed	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-5012.16059725; Eh
	1-Dec-2017	/Mechanisms/OEp_Insertion/Monometallic/Carbonate2 Carbonate2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2294.81196292; Eh
	1-Dec-2017	/Extra_Calculations/O_Al_BondAnalysis/Ep Ep	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-1723.78970896; Eh

Results 10681-10690 of 104079 (Search time: 0.009 seconds).