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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Sep-2019	/F2F_20th-September-2019_ETH/au_metal_ads PU1_ads_Au_100	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-694.35221264; eV
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ag_metal_ads DMC_ads_Ag_100	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-446.70946054; eV
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ag_metal_ads DMC_ads_Ag_111	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-255.80248360; eV
	13-Apr-2023	/hydride-formation Pd(111)-(3x3)-K-H	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-310.29043608; eV
	7-Feb-2018	/SpinOrbit/LaPr/Inv Inv	González Fabra, Joan	ADF; 2017	Single point	DFT	TZP	-
	7-Feb-2018	/SpinOrbit/LaPr/Exp Exp	González Fabra, Joan	ADF; 2017	Single point	DFT	TZP	-
	8-Nov-2018	/water/complexes aq-pcl3oso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2037.861021; Eh
	16-Jan-2026	/FG_dataset/group2/pt/111 pt-4a11-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-363.43958042; eV
	9-Nov-2018	/vacuum/complexes nme3alcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1797.78834700; Eh
	23-Aug-2018	/slabs/islanding/ni5p4 2_12_137	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-841.70070533; eV

Results 11171-11180 of 104592 (Search time: 0.009 seconds).