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

Search

previous
1
...
9862
9863
9864
9865
9866
9867
9868
...
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/IO3_/phonopy/disp_028 disp_028	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-46.28720861; eV
	20-Jun-2025	/Mn_proj/Molecules/IO3_/phonopy/disp_004 disp_004	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-46.28654918; eV
	20-Jun-2025	/Mn_proj/Molecules/IO3_/phonopy/disp_001 disp_001	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-46.28759812; eV
	20-Jun-2025	/Mn_proj/Molecules/IO3_/phonopy/disp_029 disp_029	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-46.28838191; eV
	20-Jun-2025	/Mn_proj/Molecules/IO3_/phonopy/disp_005 disp_005	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-46.28656759; eV
	20-Jun-2025	/Mn_proj/Molecules/IO3_/phonopy/disp_006 disp_006	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-46.28688143; eV
	20-Jun-2025	/Mn_proj/Molecules/H2/scan/phonopy/disp_001 disp_001	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-6.84812731; eV
	20-Jun-2025	/Mn_proj/Molecules/H2/scan/phonopy/disp_002 disp_002	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-6.84578510; eV
	20-Jun-2025	/Mn_proj/Molecules/IO4_/phonopy/disp_019 disp_019	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-51.26950926; eV
	20-Jun-2025	/Mn_proj/Molecules/H2/phonopy/disp_001 disp_001	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-6.77150611; eV

Results 98641-98650 of 103542 (Search time: 0.064 seconds).