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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/NBO/Alkoxide Alkoxide	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-1838.30245366; Eh
	1-Dec-2017	/Extra_Calculations/NBO/IC IC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-1838.32464845; Eh
	1-Dec-2017	/Mechanisms/OEp_Insertion/Monometallic/Methyl_Model/Carbonate2 Carbonate2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2142.21869345; Eh
	1-Dec-2017	/Extra_Calculations/CyclohexeneOx_Tests/From_Back From_Back	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2220.03695007; Eh
	1-Dec-2017	/Extra_Calculations/IC_Isomerization/Alkoxide/Zoom Zoom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-1838.22085212; Eh
	1-Dec-2017	/Mechanisms/OEp_Insertion/Monometallic/Alkoxide Alkoxide	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2106.21101358; Eh
	1-Dec-2017	/Extra_Calculations/O_Al_BondAnalysis/Ox Ox	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-1763.11611655; Eh
	1-Dec-2017	/Extra_Calculations/Dimer/Ensemble Ensemble	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-3596.91471562; Eh
	1-Dec-2017	/Extra_Calculations/Dimer/CC_H CC_H	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-3596.95457673; Eh
	1-Dec-2017	/Extra_Calculations/Dimer/Dimer Dimer	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-3140.00099157; Eh

Results 10721-10730 of 104079 (Search time: 0.008 seconds).