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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Oct-2018	7_3-OPBE	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UOPBE	6-31+g(d)	-1304.34309893; Eh
	15-Oct-2018	7_1-OPBE	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	ROPBE	6-31+g(d)	-1304.38099645; Eh
	2-Aug-2018	MDsnap_trimer2_3180	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.60994657; eV
	22-Aug-2018	/ads_sn2_Co_Cu1 ch3oh	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-464.83686174; eV
	17-Oct-2017	/Adsorption/ni/7x4 G1	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-585.14464938; eV
	19-Apr-2018	12-RhI	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	LANL2DZ; 6-31G*	-303.048678591; Eh
	19-Apr-2018	26p	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D	6-311++G**	-1229.34365117; Eh
	9-Nov-2018	/vacuum/complexes pcl3ircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2625.89914080; Eh
	2-Aug-2018	MDsnap_trimer2_2540	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.65919645; eV
	17-Oct-2017	/Adsorption/niru/7x4 G10_2	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-589.38211557; eV

Results 411-420 of 103806 (Search time: 0.004 seconds).