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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Aug-2018	/solvation/no_solv toluene	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	DFT	-	-92.86922584; eV
	23-Aug-2018	/solvation/no_solv methyl_but_ol+4h	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	DFT	-	-97.05949283; eV
	23-Aug-2018	/solvation/no_solv methyl_but_ol+2h	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	DFT	-	-88.54902654; eV
	23-Aug-2018	/solvation/no_solv methyl_but_ol	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	DFT	-	-79.58646098; eV
	23-Aug-2018	/solvation/no_solv hexane	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	DFT	-	-106.98877833; eV
	23-Aug-2018	/solvation/no_solv h2	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	DFT	-	-6.77537824; eV
	23-Aug-2018	/solvation/solv toluene	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	DFT	-	-92.95406231; eV
	23-Aug-2018	/solvation//solvation solv methyl_but_ol+4h	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	DFT	-	-97.23595157; eV
	23-Aug-2018	/solvation//solvation solv methyl_but_ol+2h	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	DFT	-	-88.76474445; eV
	23-Aug-2018	/solvation//solvation solv methyl_but_ol	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Geometry optimization	DFT	-	-79.83601664; eV

Results 1-10 of 314 (Search time: 0.001 seconds).