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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Aug-2018	/gas_opt h2	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-6.76650618; eV
	22-Aug-2018	/gas_opt oh	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-7.08120005; eV
	22-Aug-2018	/solvation/no_solvent bh3nh3	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	DFT	-	-36.92071223; eV
	22-Aug-2018	/solvation/no_solvent ch3oh	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	DFT	-	-30.20853760; eV
	22-Aug-2018	/solvation/solvent ch3oh	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	DFT	-	-30.20853760; eV
	22-Aug-2018	/solvation/solvent bh3nh3	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	DFT	-	-36.92071223; eV
	22-Aug-2018	/solvation/no_solvent nh3	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	DFT	-	-19.53746114; eV
	22-Aug-2018	/slabs_opt slab_Co2_Cu2	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-438.10302722; eV
	22-Aug-2018	/solvation/solvent nh3	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	DFT	-	-19.53746114; eV
	22-Aug-2018	/slabs_opt slab_Co_Cu1	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-433.98136627; eV

Results 981-990 of 1038 (Search time: 0.003 seconds).