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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/vacancy2 combine	Lian, Zan	LAMMPS; 29 Sep 2021	Molecular Dynamics	-	-	-
	8-Nov-2023	/NNP_application/Odiffusion/Cu2O/NEB/vacancy1 step2	Lian, Zan	LAMMPS; 29 Sep 2021	Molecular Dynamics	-	-	-
	22-Mar-2023	/ini_data_source/CuxO/surface/22/211 POSCAR_3_5	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-394.41828482; eV
	22-Mar-2023	/ini_data_source/CuxO/surface/22/211 POSCAR_4_1	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-388.85462261; eV
	22-Mar-2023	/ini_data_source/CuxO/surface/22/211 POSCAR_31_3	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-197.75987683; eV
	8-Nov-2023	/NNP_application/Odiffusion/Cu2O/NEB/exchange2 step1	Lian, Zan	LAMMPS; 29 Sep 2021	Molecular Dynamics	-	-	-
	22-Mar-2023	/ini_data_source/CuxO/surface/22/211 POSCAR_30_5	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-201.59452449; eV
	22-Mar-2023	/ini_data_source/CuxO/surface/22/211 POSCAR_3_1	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-393.51956294; eV
	22-Mar-2023	/ini_data_source/CuxO/surface/22/211 POSCAR_31_1	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-197.42763619; eV
	22-Mar-2023	/ini_data_source/CuxO/surface/22/211 POSCAR_30_1	Lian, Zan	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-202.65490319; eV

Results 2111-2120 of 6322 (Search time: 0.002 seconds).