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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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	3_ads-b_t_t-1	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-439.27572744; eV
	5-Jan-2023	AA_Pt4_CHO	Garcia, Ricardo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 02 2017 14:43:08) complex	Geometry optimization	DFT	-	-631.04883030; eV
	10-Sep-2019	3_ads-b_b_b-1	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-438.52980713; eV
	10-Sep-2019	2_ads-m_t-5	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-364.71429229; eV
	5-Jan-2023	AA_Pt4_CH3O	Garcia, Ricardo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 08:52:35) complex	Single point	DFT	-	-638.23657044; eV
	10-Sep-2019	2_ads-m_t-4	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-365.26557213; eV
	10-Sep-2019	2_ads-m_t-3	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-364.73062182; eV
	5-Jan-2023	AA_Pt4_COH	Garcia, Ricardo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:34:00) complex	Geometry optimization	DFT	-	-630.38806979; eV
	10-Sep-2019	2_ads-m_t-1	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complex	Geometry optimization	DFT	-	-364.95261649; eV

Results 111-120 of 4289 (Search time: 0.002 seconds).