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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Oct-2017	/Adsorption/ru/7x4 G10	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-883.16951867; eV
	17-Oct-2017	/Adsorption/ru/7x4 D	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-995.32755849; eV
	17-Oct-2017	/Adsorption/ru/7x4 E	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-988.99557695; eV
	17-Oct-2017	/Adsorption/ru/7x4 phenol	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-810.37963325; eV
	17-Oct-2017	/Adsorption/ru/7x4 benzene	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-803.63388131; eV
	8-Nov-2018	/water/complexes aq-sime3ZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2757.9865113; Eh
	17-Oct-2017	/Adsorption/ni/7x4 phenol_methoyx	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-536.06901919; eV
	17-Oct-2017	/Adsorption/ru/7x4 G2	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-882.48421742; eV
	17-Oct-2017	/Adsorption/ru/7x4 B	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-995.55414275; eV
	17-Oct-2017	/Adsorption/ru/7x4 C	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-995.26734744; eV

Results 2041-2050 of 104079 (Search time: 0.004 seconds).