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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Jul-2023	Bi001-OCHO	Chen, Xingzhu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complex	Geometry optimization	DFT	-	-263.22809883; eV
	12-Jul-2023	Bi001-COOH	Chen, Xingzhu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complex	Geometry optimization	DFT	-	-262.64654413; eV
	23-Jul-2023	Cu2O-COOH	Chen, Xingzhu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complex	Geometry optimization	DFT	-	-475.18419383; eV
	23-Jul-2023	In2O3-OCHO	Chen, Xingzhu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complex	Geometry optimization	DFT	-	-464.32033992; 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	CdO111-OCHO	Chen, Xingzhu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complex	Geometry optimization	DFT	-	-447.43600433; eV
	23-Jul-2023	SnO2-COOH	Chen, Xingzhu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 19 2018 15:07:44) complex	Geometry optimization	DFT	-	-937.30864238; eV
	23-Jul-2023	Cu2O-OCHO	Chen, Xingzhu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complex	Geometry optimization	DFT	-	-475.84732659; eV
	23-Jul-2023	Bi110-COOH	Chen, Xingzhu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complex	Geometry optimization	DFT	-	-230.14346998; eV
	23-Jul-2023	Cu111-OCHO	Chen, Xingzhu	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 05 2022 20:32:27) complex	Geometry optimization	DFT	-	-266.31624129; eV

Results 11-20 of 42 (Search time: 0.002 seconds).