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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Jun-2022	Au31_CeO2_state6	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 03 2021 08:19:57) gamma-only	Geometry optimization	DFT	-	-1261.81354913; eV
	2-Jun-2022	Au31_CeO2_state4	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 03 2021 08:19:57) gamma-only	Geometry optimization	DFT	-	-1261.77324734; eV
	2-Jun-2022	Au31_CeO2_state8	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 03 2021 08:19:57) gamma-only	Geometry optimization	DFT	-	-1261.83686225; eV
	2-Jun-2022	Au31_CeOx_state2a	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 03 2015 11:45:30) gamma-only	Geometry optimization	DFT	-	-1252.36583549; eV
	2-Jun-2022	Au31_CeOx_state1a	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 03 2015 11:45:30) gamma-only	Geometry optimization	DFT	-	-1254.47770245; eV
	21-Jun-2023	CMS1-2water-opt	Vlaisavljevich, Bess	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 01 2018 11:56:12) gamma-only	Geometry optimization	DFT	-	-2956.69437974; eV
	21-Jun-2023	CMS1-water-opt	Vlaisavljevich, Bess	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 01 2018 11:56:12) gamma-only	Geometry optimization	DFT	-	-2943.52071608; eV
	21-Jun-2023	CMS2-water-opt	Vlaisavljevich, Bess	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 01 2018 11:56:12) gamma-only	Geometry optimization	DFT	-	-2943.59298677; eV
	21-Jun-2023	CMS2-CO2-opt	Vlaisavljevich, Bess	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 01 2018 11:56:12) gamma-only	Geometry optimization	DFT	-	-2949.79160778; eV
	21-Jun-2023	/Anionic_Model _PW11Co(H2O)O39_5-	Thompson, Jake	AMS; 2021.103; r96797	Geometry optimization	PBE	-	-467.371477; eV

Results 31-40 of 114 (Search time: 0.002 seconds).