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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Dec-2017	/NMR_IR/NMR/BP86/OH/Glycidol/Glycidol_3 Glycidol_3	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	-	-268.402127800; Eh
	1-Dec-2017	/NMR_IR/NMR/BP86/OH/Glycidol/Glycidol_3/NMR NMR	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBP86	-	-268.431521184; Eh
	1-Dec-2017	/NMR_IR/NMR/BP86/TMS/Opt Opt	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	-	-449.282967232; Eh
	1-Dec-2017	/NMR_IR/NMR/BP86/TMS/NMR NMR	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBP86	-	-449.282967232; Eh
	1-Dec-2017	/NMR_IR/NMR/BP86/OH/Glycidol/Glycidol_2 Glycidol_2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	-	-268.401087096; Eh
	1-Dec-2017	/NMR_IR/NMR/BP86/OH/IC/IC_2/Opt Opt	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	-	-1838.97000151; Eh
	1-Dec-2017	/NMR_IR/NMR/BP86/OMe/Glycidol_Me/Opt Opt	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	-	-307.741242528; Eh
	1-Dec-2017	/NMR_IR/NMR/BP86/OMe/IC_Me/NMR NMR	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBP86	-	-1878.27213560; Eh
	1-Dec-2017	/NMR_IR/NMR/BP86/OMe/Glycidol_Me/Glycidol_2/NMR NMR	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBP86	-	-307.740024252; Eh
	1-Dec-2017	/NMR_IR/NMR/BP86/OH/IC/Opt Opt	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	-	-1838.96971061; Eh

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