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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/Cu2O/NEB/exchange2 step3	Lian, Zan	LAMMPS; 29 Sep 2021	Molecular Dynamics	-	-	-
	8-Nov-2023	/NNP_application/Odiffusion/Cu2O/NEB/exchange2 step4	Lian, Zan	LAMMPS; 29 Sep 2021	Molecular Dynamics	-	-	-
	8-Nov-2023	/NNP_application/Odiffusion/Cu2O/NEB/exchange1 step4	Lian, Zan	LAMMPS; 29 Sep 2021	Molecular Dynamics	-	-	-
	8-Nov-2023	/NNP_application/Odiffusion/Cu2O/NEB/exchange2 combine	Lian, Zan	LAMMPS; 29 Sep 2021	Molecular Dynamics	-	-	-
	8-Nov-2023	/NNP_application/Odiffusion/Cu2O/NEB/exchange1 step5	Lian, Zan	LAMMPS; 29 Sep 2021	Molecular Dynamics	-	-	-
	22-Mar-2023	/ini_data_source/CuxO/surface/22/211 POSCAR_30_3	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-199.74954078; eV
	22-Mar-2023	/ini_data_source/CuxO/surface/22/211 POSCAR_30_4	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-205.87886254; eV
	8-Nov-2023	/NNP_application/Odiffusion/Cu2O/NEB/exchange1 step3	Lian, Zan	LAMMPS; 29 Sep 2021	Molecular Dynamics	-	-	-
	22-Mar-2023	/ini_data_source/CuxO/surface/22/211 POSCAR_28_3	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-210.95648715; eV
	22-Mar-2023	/ini_data_source/CuxO/surface/22/211 POSCAR_28_4	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-210.84961739; eV

Results 2211-2220 of 6322 (Search time: 0.002 seconds).