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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Aug-2016	t4-5	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D	6-31g(d); SDD	-3002.76438406; Eh
	24-Jan-2020	/opt_freq/Rh/CH3Br hcp	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-247.83710370; eV
	24-Jan-2020	/opt_freq/Rh/C top	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-233.10279161; eV
	24-Jan-2020	/ts/Cu R8	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-151.23060510; eV
	26-Sep-2016	/Gold Adduct_B_gold	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); lanl2dz	-1793.92650156; Eh
	26-Sep-2016	/Gold ATS1_B	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); lanl2dz	-1793.92057979; Eh
	26-Sep-2016	/Gold ITS2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); lanl2dz	-1946.72660628; Eh
	26-Sep-2016	/Gold ATS1_C	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D	6-31g(d); lanl2dz	-1793.91361836; Eh
	26-Sep-2016	/Gold AInt1_	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g(d); lanl2dz	-1793.92350173; Eh
	24-Jan-2020	/opt/Pt/CH2Br2 top_top	Garcia, Sergio Pablo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-232.64785331; eV

Results 5561-5570 of 106051 (Search time: 0.006 seconds).