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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
6-Aug-2020	/workfunctions Co	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-245.79680124; eV
13-Apr-2023	/hydride-formation Pt(111)-(3x3)-K-OH-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-339.77106987; eV
7-Feb-2018	/BP_Opt/LaPr/Exp Exp	González Fabra, Joan	ADF; 2017	Geometry optimization	DFT	TZP	-
7-Feb-2018	/SpinOrbit/PrLu/Inv Inv	González Fabra, Joan	ADF; 2017	Single point	DFT	TZP	-
8-Nov-2018	/water/complexes aq-pcl3pdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2536.7280284; Eh
23-Aug-2018	/slabs/slabs ni3p1	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-635.41428921; eV
31-Jan-2018	PHI_s	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	-	-	-3140.92615911; eV
1-Feb-2018	EuOBr_surface	López, Núria	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-378.46853794; eV
30-Jan-2018	Pd_atom	Fako, Edvin	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Geometry optimization	-	-	-1.50156387; eV
7-Feb-2018	/B3LYP/LaPr_NoLigands/Inv/FAIL FAIL	González Fabra, Joan	ADF; 2017	Single point	DFT	TZP	-

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