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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Nov-2023	/NNP_application/Odiffusion/Cu_shell/remove_different_layers/10layers 8	Lian, Zan	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	22-Mar-2023	/ini_data_source/CuxO/surface/22/211 POSCAR_7_3	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-362.96699688; eV
	8-Nov-2023	/NNP_application/Odiffusion/Cu2O 1250K_600ns	Lian, Zan	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	22-Mar-2023	/ini_data_source/CuxO/surface/22/211 POSCAR_6_5	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-371.15045584; eV
	22-Mar-2023	/ini_data_source/CuxO/surface/22/211 POSCAR_6_3	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-371.27859866; eV
	22-Mar-2023	/ini_data_source/CuxO/surface/22/211 POSCAR_6_4	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-370.75919045; eV
	22-Mar-2023	/ini_data_source/CuxO/surface/22/211 POSCAR_6_1	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-369.68344442; eV
	22-Mar-2023	/ini_data_source/CuxO/surface/22/211 POSCAR_5_4	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-379.01863297; eV
	22-Mar-2023	/ini_data_source/CuxO/surface/22/211 POSCAR_5_5	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-377.78243283; eV
	8-Nov-2023	/NNP_application/Odiffusion/Cu2O/NEB/exchange1 combine	Lian, Zan	LAMMPS; 29 Sep 2021	Molecular Dynamics	-	-	-

Results 1831-1840 of 6322 (Search time: 0.002 seconds).