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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Jul-2023	r-In2O3-COOH	Chen, Xingzhu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complex	Geometry optimization	DFT	-	-605.54896265; eV
	23-Jul-2023	SnO2-OCHO	Chen, Xingzhu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complex	Geometry optimization	DFT	-	-936.53916842; eV
	23-Jul-2023	In101-OCHO	Chen, Xingzhu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complex	Geometry optimization	DFT	-	-189.03967756; eV
	11-Jul-2023	Au-COOH	Chen, Xingzhu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complex	Geometry optimization	DFT	-	-257.93981582; eV
	12-Jul-2023	Bi2O3-OCHO	Chen, Xingzhu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complex	Geometry optimization	DFT	-	-495.13903632; eV
	23-Jul-2023	r-SnO2-COOH	Chen, Xingzhu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complex	Geometry optimization	DFT	-	-875.89510156; eV
	23-Jul-2023	CdO111-COOH	Chen, Xingzhu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complex	Geometry optimization	DFT	-	-446.90632540; eV
	23-Jul-2023	ZnO-COOH	Chen, Xingzhu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complex	Geometry optimization	DFT	-	-457.28198269; eV
	23-Jul-2023	PbO-COOH	Chen, Xingzhu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complex	Geometry optimization	DFT	-	-429.14826087; eV
	12-Jul-2023	Bi2O3-COOH	Chen, Xingzhu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complex	Geometry optimization	DFT	-	-494.11875259; eV

Results 1-10 of 42 (Search time: 0.001 seconds).