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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/3x3/benzene benzene	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-394.85401433; eV
	17-Oct-2017	/Adsorption/ru/4x4 phenol	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-648.28493047; eV
	17-Oct-2017	/Adsorption/ru/4x4 benzene	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-641.61285461; eV
	17-Oct-2017	/Adsorption/ru/3x3/h top	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-320.72229820; eV
	17-Oct-2017	/Adsorption/ru/4x4 static	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-563.91403765; eV
	17-Oct-2017	/Adsorption/ru/3x3/h h	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-321.09928586; eV
	17-Oct-2017	/Adsorption/ru/3x3/co co	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Frequencies	-	-	-333.99914515; eV
	17-Oct-2017	/Adsorption/ru/3x3/h f	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Frequencies	-	-	-321.15286834; eV
	28-May-2022	/Ea-CO-CO-coupling-multivalent-cation Cu(100)-p(3x3)-CO-CO-Cs+	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-398.22257478; eV
	29-Feb-2016	Int3a-cis-cis	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-3793.33092036; Eh

Results 2011-2020 of 104079 (Search time: 0.005 seconds).