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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/IC_Me/Opt Opt	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-1877.62037738; Eh
	1-Dec-2017	/NMR_IR/NMR/wB97xD/OH/IC/Butanone Butanone	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-1838.32464845; Eh
	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/OMe/Glycidol_Me/NMR NMR	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	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/TMS/NMR NMR	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-449.197277534; Eh
	1-Dec-2017	/NMR_IR/NMR/wB97xD/OMe/IC_Me/NMR NMR	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-1877.62037738; 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

Results 31-40 of 447 (Search time: 0.001 seconds).