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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Apr-2021	/Molecules CO2	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:46:31) gamma-only	Geometry optimization	DFT	-	-22.96490622; eV
	15-Apr-2021	/Molecules CO	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:46:31) gamma-only	Geometry optimization	DFT	-	-14.79043643; eV
	15-Apr-2021	/CeO2/CeO2_111/O_vacancy/OH_on_1vac_slab 1OH-vac	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-286.40137083; eV
	15-Apr-2021	/CeO2 ceria-bulk	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-97.93863342; eV
	15-Apr-2021	/CeO2/CeO2_111/O_vacancy NN_NNN	Davo, Arantxa	vasp; 5.4.1; 24Jun15 (build Dec 20 2017 16:26:21) complex	Geometry optimization	DFT	-	-282.03350315; eV
	15-Apr-2021	/CeO2/CeO2_111/OH 3OH	Davo, Arantxa	vasp; 5.4.1; 24Jun15 (build Dec 20 2017 10:23:22) complex	Geometry optimization	DFT	-	-303.00268834; eV
	15-Apr-2021	/Ru/Ru_0001/2H_CO2 2H_CO2	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-168.95783331; eV
	15-Apr-2021	/Ru/Ru_0001/H 4H	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-154.20913403; eV
	15-Apr-2021	/Ru Ru-bulk	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 03 2018 15:26:03) complex	Geometry optimization	DFT	-	-18.37901167; eV
	15-Apr-2021	/Molecules O2	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:46:31) gamma-only	Geometry optimization	DFT	-	-9.88420697; eV

Results 11-20 of 23 (Search time: 0.001 seconds).