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Showing results 16805 to 16824 of 16918 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
22-Aug-2018	/xps/Co_Cu3 115	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-908.04060352; eV
22-Aug-2018	/xps/Co_Cu3 116	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-908.55337014; eV
22-Aug-2018	/xps/Co_Cu3 117	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-908.60693032; eV
22-Aug-2018	/xps/Co_Cu3 118	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-908.65013895; eV
22-Aug-2018	/xps/Co_Cu3 119	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-908.55347350; eV
22-Aug-2018	/xps/Co_Cu3 120	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-908.74005930; eV
22-Aug-2018	/xps/Co_Cu3 121	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-908.67450736; eV
22-Aug-2018	/xps/Co_Cu3 122	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-908.56235344; eV
22-Aug-2018	/xps/Co_Cu3 123	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-907.87051369; eV
22-Aug-2018	/xps/Co_Cu3 124	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-908.56374073; eV
22-Aug-2018	/xps/Co_Cu3 125	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-906.98898655; eV
22-Aug-2018	/xps/Co_Cu3 126	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-908.38872263; eV
22-Aug-2018	/xps/Co_Cu3 127	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-908.58563863; eV
22-Aug-2018	/xps/Co_Cu3 128	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-908.58212002; eV
22-Aug-2018	/xps/Co_Cu3 129	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-908.51691969; eV
22-Aug-2018	/xps/Co_Cu3 130	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-908.43860196; eV
22-Aug-2018	/xps/Co_Cu3 131	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-908.54706528; eV
22-Aug-2018	/xps/Co_Cu3 132	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-908.57158762; eV
22-Aug-2018	/xps/Co_Cu3 133	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-908.58386728; eV
22-Aug-2018	/xps/Co_Cu3 134	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-908.51163458; eV

Showing results 16805 to 16824 of 16918 < previous next >