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

Search

previous
1
...
9763
9764
9765
9766
9767
9768
9769
...
10355
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/PMoW P00Mo00W03O10-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-4.34278465; Eh
	20-Jun-2025	/Mn_proj/Molecules/NO2/phonopy/disp_007 disp_007	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-6.89960751; eV
	20-Jun-2025	/Mn_proj/Molecules/NO2/phonopy/disp_011 disp_011	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-6.90903528; eV
	20-Jun-2025	/Mn_proj/Molecules/NO2/phonopy/disp_012 disp_012	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-6.91703274; eV
	20-Jun-2025	/Mn_proj/Molecules/NO2/phonopy/disp_009 disp_009	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-6.91340809; eV
	20-Jun-2025	/Mn_proj/Molecules/NO2/phonopy/disp_008 disp_008	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Jun 12 2024 14:44:05) gamma-only	Single point	DFT	-	-6.92653423; eV
	20-Jun-2025	/Mn_proj/Molecules/BrO3− BrO3−	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-336.67914809; eV
	20-Jun-2025	/Mn_proj/Molecules/BrO3−/phonopy/disp_021 disp_021	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-336.68425739; eV
	20-Jun-2025	/Mn_proj/Molecules/BrO3−/phonopy/disp_008 disp_008	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-336.68539036; eV
	20-Jun-2025	/Mn_proj/Molecules/BrO3−/phonopy/disp_020 disp_020	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-336.68470845; eV

Results 97651-97660 of 103542 (Search time: 0.065 seconds).