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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Dec-2016	/intermediateds 22_c	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-667.68709203; eV
	1-Dec-2016	/intermediateds 13_r	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-664.55623797; eV
	1-Dec-2016	/intermediateds 14_c	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-652.97214210; eV
	1-Dec-2016	/intermediateds 13_c	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-664.37220486; eV
	1-Dec-2016	/intermediateds 14_r	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-652.87151840; eV
	18-Apr-2017	/B3LYP Cat	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1091.66477115; Eh
	18-Apr-2017	/B3LYP-D3 BnepBenzene	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	-	-525.147485317; Eh
	1-Dec-2016	/Pd_Pt_test 01_26_pt_freq	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Frequencies	-	-	-637.07167132; eV
	1-Dec-2016	/Pd_Pt_test fcc_pt	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-387.34134477; eV
	1-Dec-2016	/Pd_Pt_test oh_pd	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-339.11180946; eV

Results 8351-8360 of 103542 (Search time: 0.008 seconds).