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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/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/CarbH_Eq/Restart Restart	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.89122380; 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/HCarb/Gas Gas	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.86658287; Eh
	1-Dec-2017	/NMR_IR/IR/wB97xD/HCarb/Cyclohexane Cyclohexane	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.88457210; 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
	1-Dec-2017	/NMR_IR/IR/wB97xD/HCarb HCarb	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.90049291; Eh
	1-Dec-2017	/NMR_IR/IR/wB97xD/HCarb_Water HCarb_Water	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2103.34214861; Eh

Results 41-50 of 447 (Search time: 0.001 seconds).