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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
7-Feb-2018	/SpinOrbit/PrGd_NoLigands/Exp Exp	González Fabra, Joan	ADF; 2017	Single point	DFT	TZP	-
7-Feb-2018	/SpinOrbit/LaPr_NoLigands/Exp Exp	González Fabra, Joan	ADF; 2017	Single point	DFT	TZP	-
7-Feb-2018	/B3LYP/LaPr/Exp/Mixing Mixing	González Fabra, Joan	ADF; 2017	Single point	DFT	TZP	-
7-Feb-2018	/SpinOrbit/PrGd/Inv Inv	González Fabra, Joan	ADF; 2017	Single point	DFT	TZP	-
7-Feb-2018	/B3LYP/PrGd/Inv Inv	González Fabra, Joan	ADF; 2017	Single point	DFT	TZP	-
8-Nov-2018	/water/complexes aq-pcl3pdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2193.1384284; Eh
9-Nov-2018	/vacuum/complexes nme3cunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-541.052623948; Eh
23-Aug-2018	/slabs/islanding/ni5p4 2_12_106	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-841.98869192; eV
12-Feb-2019	sa-RhFe-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-342.16689621; eV
12-Feb-2019	sa-RhNi-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-338.99197492; eV

Results 12991-13000 of 104079 (Search time: 0.009 seconds).