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Item hits:

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/NEB/1oxygen step2	Lian, Zan	LAMMPS; 29 Sep 2021	Molecular Dynamics	-	-	-
	8-Nov-2023	/NNP_application/Odiffusion/Cu_shell/NEB/1oxygen step1	Lian, Zan	LAMMPS; 29 Sep 2021	Molecular Dynamics	-	-	-
	22-Mar-2023	/ini_data_source/CuxO/adO/111 POSCAR_3_1	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-175.32356358; eV
	22-Mar-2023	/ini_data_source/CuxO/adO/111 POSCAR_2_5	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-181.83075204; eV
	8-Nov-2023	/NNP_application/Odiffusion/Cu_shell/remove_different_layers/8layers 6	Lian, Zan	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	22-Mar-2023	/ini_data_source/CuxO/adO/110 POSCAR_3_5	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-115.91335962; eV
	22-Mar-2023	/ini_data_source/CuxO/adO/110 POSCAR_3_4	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-115.76309143; eV
	8-Nov-2023	/NNP_application/Odiffusion/Cu_shell/remove_different_layers/14layers 5	Lian, Zan	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	7-Nov-2023	/NNP_application/annealing_convergence_test/annealing_rate/03 0_1ns	Lian, Zan	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-
	8-Nov-2023	/NNP_application/Odiffusion/Cu_shell/remove_different_layers/14layers 6	Lian, Zan	LAMMPS; 29 Sep 2021 - Update 3	Molecular Dynamics	-	-	-

Results 1601-1610 of 6322 (Search time: 0.002 seconds).