ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

previous
1
...
9781
9782
9783
9784
9785
9786
9787
...
10355
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jun-2025	/Mn_proj/Molecules/MnO4_2/phonopy/disp_005 disp_005	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-38.19582220; eV
	20-Jun-2025	/Mn_proj/Molecules/MnO4_2/phonopy/disp_036 disp_036	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-38.19678938; eV
	20-Jun-2025	/Mn_proj/Molecules/MnO4_2/phonopy/disp_013 disp_013	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-38.19792568; eV
	20-Jun-2025	/Mn_proj/Molecules/MnO4_2/phonopy/disp_004 disp_004	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-38.19782046; eV
	20-Jun-2025	/Mn_proj/Molecules/MnO4_2/phonopy/disp_003 disp_003	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-38.19815975; eV
	20-Jun-2025	/Mn_proj/Molecules/MnO4_2/phonopy/disp_014 disp_014	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-38.20117175; eV
	20-Jun-2025	/Mn_proj/Molecules/MnO4_2/phonopy/disp_012 disp_012	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-38.20047357; eV
	29-Sep-2025	/Single-points/HSE-13-111kp/Pristine slab-in2o3	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-1245.11788625; eV
	29-Sep-2025	/Single-points/HSE-13-111kp/Pristine slab-t-zro2	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-1586.22613166; eV
	29-Sep-2025	/Single-points/HSE-13-111kp/Pristine slab-c-zro2	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-888.65100010; eV

Results 97831-97840 of 103542 (Search time: 0.057 seconds).