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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Sep-2016	/Copper AInt2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); lanl2dz	-1854.86195827; Eh
	26-Sep-2016	/Silver metallocarbene	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); lanl2dz	-1572.09092678; Eh
	20-Aug-2019	TS3_bis	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	LANL2DZ 6-311G* GEN*	-1616.44954509; Eh
	8-Sep-2017	Ni100-1	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-312.35732434; eV
	1-Dec-2017	/Racemization/Scan_H Scan_H	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-783.811400163; Eh
	8-May-2017	Ru-31304	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-369.22672859; eV
	26-Sep-2016	/Gold TS_rotationBC	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D	6-31g(d); lanl2dz	-1793.91346922; Eh
	26-Sep-2016	/Gold TS_rotationAC	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D	6-31g(d); lanl2dz	-1793.92139701; Eh
	26-Sep-2016	/Silver ATS1_C	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); lanl2dz	-1804.21101670; Eh
	26-Sep-2016	/Silver Adduct_B	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); lanl2dz	-1804.21061978; Eh

Results 5651-5660 of 104229 (Search time: 0.007 seconds).