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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/wB97xD/OMe/Glycidol_Me/Opt Opt	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-307.612159216; Eh
	1-Dec-2017	/NMR_IR/NMR/wB97xD/TMS/Opt Opt	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-449.197277534; Eh
	1-Dec-2017	/NMR_IR/NMR/wB97xD/OH/Glycidol/Opt Opt	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-268.318778191; Eh
	1-Dec-2017	/Racemization/Scan2/Prod Prod	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-456.399339169; Eh
	1-Dec-2017	/NMR_IR/IR/wB97xD/HCarb2/H_Bond/Frozen/Opt Opt	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.90453463; Eh
	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/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/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/IR/wB97xD/Product/Cyclohexane Cyclohexane	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-456.921468358; Eh
	1-Dec-2017	/NMR_IR/IR/wB97xD/Product/wB97xD wB97xD	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-456.932272340; Eh

Results 31-40 of 330 (Search time: 0.002 seconds).