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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Jul-2023	Cu100-OCHO	Chen, Xingzhu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complex	Geometry optimization	DFT	-	-263.76114222; 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
	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
	23-Jul-2023	ZnO-OCHO	Chen, Xingzhu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complex	Geometry optimization	DFT	-	-458.50654711; 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
	23-Jul-2023	PbO-OCHO	Chen, Xingzhu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complex	Geometry optimization	DFT	-	-430.19835990; eV
	23-Jul-2023	Sn221-OCHO	Chen, Xingzhu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complex	Geometry optimization	DFT	-	-213.02037026; eV
	23-Jul-2023	Pb111-OCHO	Chen, Xingzhu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complex	Geometry optimization	DFT	-	-254.53452467; eV

Results 21-30 of 42 (Search time: 0.001 seconds).