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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Aug-2018	MDsnap_dimer2_400	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2219.34306745; eV
	2-Aug-2018	MDsnap_trimer3_3480	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2221.92390324; eV
	2-Aug-2018	MDsnap_dimer2_680	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2220.26877585; eV
	28-May-2022	/AuPd-CuPd-NiAl Ni3Al(100)-p(3x3)-NiAl-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-370.87758191; eV
	4-Jan-2022	/Starting_Materials/opt/Single_Points Co(DPEPhos)Cl2_SP	Limburg, Bart	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-3213.0674449; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET V_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1512.8272557; Eh
	2-Aug-2018	MDsnap_trimer3_3400	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2221.92819038; eV
	2-Aug-2018	MDsnap_dimer2_580	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2220.57177983; eV
	2-Aug-2018	MDsnap_dimer2_540	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2217.75502131; eV
	2-Aug-2018	MDsnap_dimer2_380	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2218.98029533; eV

Results 13931-13940 of 103542 (Search time: 0.011 seconds).