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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Dec-2016	/Pd_Pt_test 26_c_pt	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-469.00642344; eV
	1-Dec-2016	/Pd_Pt_test 01_c_pt	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-473.00692578; eV
	1-Dec-2016	/Pd_Pt_test bri_pt	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-387.34051322; eV
	1-Dec-2016	/Pd_Pt_test hcp_pt	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-387.26122395; eV
	26-Apr-2017	3´a	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31+g(d)	-1455.21637284; Eh
	26-Apr-2017	2a	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	-	-1455.23831740; Eh
	11-Feb-2022	TpBr3CuNH_Si_t_v4	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-2487.67186850; Eh
	1-Dec-2016	/Pd_Pt_test oh_fcc_pt	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-393.29578988; eV
	1-Dec-2016	/Pd_Pt_test oh_hcp_pt	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-393.20887868; eV
	1-Dec-2016	/oxidation/Ru(0001)+HHDMA 6O	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-350.09802878; eV

Results 8431-8440 of 103542 (Search time: 0.007 seconds).