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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/IR/wB97xD/HCarb2/H_Bond H_Bond	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.90452692; 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/IR/wB97xD/HCarb2/No_H No_H	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.90741120; 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
	1-Dec-2017	/NMR_IR/IR/wB97xD/HCarb2/H_Bond/Frozen Frozen	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.90171701; Eh
	1-Dec-2017	/NMR_IR/NMR/BP86/OMe/IC_Me/IC_Me_2/Opt Opt	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-1878.31971964; Eh
	1-Dec-2017	/NMR_IR/NMR/BP86/OMe/Glycidol_Me/Glycidol_3 Glycidol_3	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	-	-307.742373416; Eh
	1-Dec-2017	/NMR_IR/NMR/BP86/OH/Glycidol/Opt Opt	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	-	-268.406692065; Eh
	1-Dec-2017	/NMR_IR/NMR/BP86/OMe/IC_Me/Opt Opt	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	-	-1878.27213560; Eh

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