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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
26-Apr-2017	ts_2a-3´a	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D	6-31+g(d)	-1455.21636131; Eh
26-Apr-2017	6a	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31+g(d)	-1134.73350916; Eh
26-Apr-2017	3a	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31+g(d)	-946.185668584; Eh
26-Apr-2017	1a	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31+g(d)	-1455.24832627; Eh
26-Apr-2017	1	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31+g(d)	-1355.30019457; Eh
26-Apr-2017	ts_8a-9a	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D	-	-1234.63560200; Eh
26-Apr-2017	ts_7a-8a	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D	-	-1234.66895672; Eh
1-Dec-2016	/Pd_Pt_test 01_c_pt_ts	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-479.11210130; eV
1-Dec-2016	/Pd_Pt_test oh_bri_pt	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-393.54037108; eV
1-Dec-2016	/Pd_Pt_test oh_top_pt	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-392.82679878; eV

Results 8421-8430 of 103542 (Search time: 0.008 seconds).