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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Jun-2023	/Functional_Effect/Anionic_Model/M_=_Fe(III_II) GeW11Fe-III-(H2O)O39_5-	Thompson, Jake	AMS; 2021.106; r99350	Geometry optimization	PBE	-	-463.653071; eV
	21-Jun-2023	/Functional_Effect/Anionic_Model/M=_Mn(III_II) ZnW11Mn-II-(H2O)O39_8-	Thompson, Jake	AMS; 2021.106; r99350	Geometry optimization	PBE	-	-473.752168; eV
	21-Jun-2023	/Functional_Effect/Anionic_Model/M=_Mn(III_II) GeW11Mn-II-(H2O)O39_6-	Thompson, Jake	AMS; 2021.106; r99350	Geometry optimization	PBE	-	-469.239447; eV
	24-Jul-2023	small-nd-ipr-tetramer	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization	U-DFT	def2-TZVP; def2-SV(P)	-9823.912991336; Eh
	26-Sep-2023	(2,0,1)_2	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-942.03042972; eV
	26-Sep-2023	(3,3,1)_2	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-1317.05484998; eV
	26-Sep-2023	(3,1,2)_1	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-1324.23542066; eV
	26-Sep-2023	(3,1,0)_1	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-1323.30802086; eV
	26-Sep-2023	(3,0,1)_3	Mates Torres, Eric	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-1315.38069041; eV
	26-Sep-2023	bulk	Mates Torres, Eric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 11 2019 12:07:05) complex	Geometry optimization	DFT	-	-196.67143442; eV

Results 101-110 of 114 (Search time: 0.001 seconds).