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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Jul-2018	/Reaction_Paths/CO-oxidation/4O Pt-CO2-vac	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-873.50646831; eV
	23-Jul-2018	/Reaction_Paths/CO-oxidation/4O Pt-CO	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-872.18538953; eV
	23-Jul-2018	/Reaction_Paths/CO-oxidation/2O IV	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Geometry optimization	DFT	-	-862.52821854; eV
	23-Jul-2018	/Reaction_Paths/CO-oxidation/4O Pt-OC-O_surf	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Single point	DFT	-	-871.89213274; eV
	23-Jul-2018	/Reaction_Paths/CO-oxidation/2O TSb	Daelman, Nathan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:36) complex	Single point	DFT	-	-882.01144283; eV
	8-Nov-2018	/water/complexes aq-pcl3niph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2236.1233619; Eh
	8-Nov-2018	/water/complexes aq-ohniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-590.0596858; Eh
	8-Nov-2018	/water/complexes aq-pcl3knou2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1750.2762497; Eh
	8-Nov-2018	/water/complexes aq-oZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2424.1399904; Eh
	2-Aug-2018	MDsnap_dimer2_4320	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2218.95165355; eV

Results 11331-11340 of 104592 (Search time: 0.011 seconds).