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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-Aug-2018	MDsnap_dimer1_680	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2220.99676949; eV
30-Apr-2019	/U_Nb/isodesmic_pair/NbOOH NbOOH	Petrus, Enric	ADF; 2016	Geometry optimization	DFT	TZP	-
30-Apr-2019	/U_Nb/isodesmic_pair/UO2 UO2	Petrus, Enric	ADF; 2016	Geometry optimization	DFT	TZP	-
30-Apr-2019	/U_Nb/6_U 6_U	Petrus, Enric	ADF; 2016	Geometry optimization	DFT	TZP	-
8-May-2017	Pd-4-33	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-276.74457018; eV
8-May-2017	Pt-2-22	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-325.14700670; eV
23-Jul-2018	/trans2butene/Ni/100/8H C4H8	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-301.43272695; eV
29-Feb-2016	TS2a2-trans	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D3	6-311G**	-1998.44418930; Eh
8-May-2017	Ru-5-35	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-355.76753968; eV
8-May-2017	Cu-2221	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-167.59086154; eV

Results 21151-21160 of 104508 (Search time: 0.013 seconds).