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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
1-Dec-2016	/Pd_Pt_test 26_c_pd	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-424.27352410; eV
1-Dec-2016	/Pd_Pt_test 01_26_c_pd	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Frequencies	-	-	-642.79511673; eV
1-Dec-2016	/Pd_Pt_test 01_c_pd	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-425.58841686; eV
1-Dec-2016	/Pd_Pt_test top_pt	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-387.50685014; eV
26-Apr-2017	3b	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31+g(d); LANL2DZ	-1462.91762053; Eh
26-Apr-2017	4b	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31+g(d); LANL2DZ	-1462.92720857; Eh
26-Apr-2017	fsime2ph	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31+g(d)	-700.615866293; Eh
26-Apr-2017	ts_3a-4a	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D	6-31+g(d)	-946.177445572; Eh
26-Apr-2017	4a	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31+g(d)	-946.189729969; Eh
26-Apr-2017	dmf	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31+g(d)	-248.368009832; Eh

Results 8441-8450 of 103542 (Search time: 0.007 seconds).