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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Jun-2025	h2o2	Naeem, Muhammad Saad	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-151.532084644; Eh
	18-Jun-2025	h2o	Naeem, Muhammad Saad	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-76.4089533236; Eh
	18-Jun-2025	wo3_ch3o_oh	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Geometry optimization	DFT	-	-2322.18005166; eV
	18-Jun-2025	wo3_ch3oh	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Geometry optimization	DFT	-	-2321.83713157; eV
	18-Jun-2025	wo3_ooh	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Geometry optimization	DFT	-	-2290.13503754; eV
	20-Jun-2025	/Mn_proj/Molecules/IO3_/phonopy/disp_011 disp_011	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-46.28831619; eV
	20-Jun-2025	/Mn_proj/Molecules/IO3_/phonopy/disp_022 disp_022	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-46.28875714; eV
	20-Jun-2025	/Mn_proj/Molecules/IO3_/phonopy/disp_009 disp_009	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-46.28704916; eV
	20-Jun-2025	/Mn_proj/Molecules/IO3_/phonopy/disp_003 disp_003	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-46.28676897; eV
	20-Jun-2025	/Mn_proj/Molecules/IO3_/phonopy/disp_014 disp_014	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-46.28859439; eV

Results 99381-99390 of 103542 (Search time: 0.056 seconds).