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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Jun-2023	E-B2jp	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-2674.61934277; Eh
	2-Aug-2018	MDsnap_dimer1_2260	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2221.24965298; eV
	2-Aug-2018	MDsnap_dimer1_2200	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2220.03260067; eV
	2-Aug-2018	MDsnap_dimer1_1920	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2219.74108217; eV
	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
	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

Results 13091-13100 of 103689 (Search time: 0.01 seconds).