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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/Alcohol_AcidityAnalysis/Free_Alkoxide Free_Alkoxide	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-1838.30234736; Eh
	1-Dec-2017	/Extra_Calculations/Epoxide_Isomerization/Alk_Isom/Zoom/Zoom Zoom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-1837.91704141; Eh
	1-Dec-2017	/Extra_Calculations/Epoxide_Isomerization Epoxide_Isomerization	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.86751737; Eh
	1-Dec-2017	/Extra_Calculations/CyclohexeneOx_Tests/Before Before	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2220.09532079; Eh
	1-Dec-2017	/Extra_Calculations/Alcohol_AcidityAnalysis/Hydroxide Hydroxide	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-75.8498961213; Eh
	1-Dec-2017	/Extra_Calculations/Ligand_BasicityAnalysis/Guess_TS_H/Guess Guess	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-1646.04678015; Eh
	1-Dec-2017	/Extra_Calculations/Ligand_BasicityAnalysis/TS_H TS_H	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	-	-1646.40395890; Eh
	1-Dec-2017	/Extra_Calculations/Alcohol_AcidityAnalysis/Hydronium Hydronium	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-76.8258527410; Eh
	1-Dec-2017	/Extra_Calculations/Alcohol_AcidityAnalysis/Water Water	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-76.4308087528; Eh
	1-Dec-2017	/Extra_Calculations/Alcohol_AcidityAnalysis/Glycidol Glycidol	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-268.320420768; Eh

Results 461-470 of 497 (Search time: 0.002 seconds).