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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
14-Jul-2015	Adsorption_of_ClC6H4NH2_on_Lindlar	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-527.62904970; eV
14-Jul-2015	Adsorption_of_ClC6H4NH2_on_Pt(111)	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-532.51116317; eV
14-Jul-2015	Adsorption_of_ClC6H4NH2_on_c-Pt	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-1724.16014645; eV
14-Jul-2015	Adsorption_of_ClC6H4NO2_on_Lindlar	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-530.38511769; eV
14-Jul-2015	Adsorption_of_ClC6H4NO2_on_c-Pt	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-1725.31315030; eV
14-Jul-2015	Adsorption_of_ClC6H4NO2_on_Pt(111)	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-534.52984167; eV
14-Jul-2015	P5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g*	-236.907504965; Eh
14-Jul-2015	P0	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g*	-40.4888420984; Eh
14-Jul-2015	P8	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g*	-197.624728811; Eh
14-Jul-2015	P4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g*	-197.623041714; Eh
14-Jul-2015	P1	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g*	-79.7699232147; Eh
14-Jul-2015	P7	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g*	-236.910069934; Eh
14-Jul-2015	P2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g*	-119.054144216; Eh
14-Jul-2015	P3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g*	-158.338597487; Eh
14-Jul-2015	P6	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g*	-158.340627138; Eh
14-Jul-2015	radicalP2_2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-118.364183135; Eh
14-Jul-2015	radicalP6_1	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-157.656817652; Eh
14-Jul-2015	radicalP2_1	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-118.371394364; Eh
14-Jul-2015	radicalP5_2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-236.224460229; Eh
14-Jul-2015	radicalP5_1	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB97D	6-31g*	-236.225112580; Eh

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