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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
13-Feb-2020	/3/C3 C3	Korkus Hamal, Ester	vasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complex	Geometry optimization	DFT	-	-288.60939608; eV
13-Feb-2020	/4/A4 A4	Korkus Hamal, Ester	vasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complex	Geometry optimization	DFT	-	-283.97581071; eV
13-Feb-2020	/7/B7 B7	Korkus Hamal, Ester	vasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complex	Geometry optimization	DFT	-	-278.29711357; eV
13-Feb-2020	/7/C7 C7	Korkus Hamal, Ester	vasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complex	Geometry optimization	DFT	-	-288.32405284; eV
13-Feb-2020	/7/A7 A7	Korkus Hamal, Ester	vasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complex	Geometry optimization	DFT	-	-283.46004002; eV
18-Sep-2019	/Profile_2 step_G	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZP; DZP; SZ	-31.98485862; Eh
18-Sep-2019	/Profile_2 TS_H	Bandeira, Nuno	ADF; 2017	TS	DFT	TZP; DZP; SZ	-31.91542946; Eh
13-Feb-2020	/4/D4 D4	Korkus Hamal, Ester	vasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complex	Geometry optimization	DFT	-	-283.47693027; eV
13-Feb-2020	/4/B4 B4	Korkus Hamal, Ester	vasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complex	Geometry optimization	DFT	-	-278.16362598; eV
13-Feb-2020	/4/C4 C4	Korkus Hamal, Ester	vasp; 5.3.3; 18Dez12 (build Sep 16 2013 14:52:01) complex	Geometry optimization	DFT	-	-288.39223680; eV

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