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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Sep-2019	4_ads-m_m_m_m-3	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-509.31580351; eV
	10-Sep-2019	4_ads-b_t_t_m-1	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-511.20150875; eV
	10-Sep-2019	4_ads-b_b_b_b-2	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-510.77235853; eV
	10-Sep-2019	3_ads-b_b_t-1	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-439.31874305; eV
	10-Sep-2019	1_ads-m-3	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 30 2015 22:17:36) complex	Geometry optimization	DFT	-	-290.68099774; eV
	15-Apr-2021	/CeO2/CeO2_111/OH 4OH	Davo, Arantxa	vasp; 5.4.1; 24Jun15 (build Dec 20 2017 10:23:22) complex	Geometry optimization	DFT	-	-307.57530931; eV
	15-Apr-2021	/CeO2/CeO2_111/O_vacancy/OH_on_1vac_slab 3OH-vac	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-295.16627788; eV
	15-Apr-2021	/Ru/Ru_0001/H/1H bridge	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-142.33415251; eV
	15-Apr-2021	/Ru/Ru_0001/H/1H fcc	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-142.33421042; eV
	15-Apr-2021	/Ru/Ru_0001/H 2H	Davo, Arantxa	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex	Geometry optimization	DFT	-	-146.31876173; eV

Results 101-110 of 2461 (Search time: 0.003 seconds).