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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	hcooh	Naeem, Muhammad Saad	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-189.747168363; Eh
	18-Jun-2025	h2	Naeem, Muhammad Saad	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-1.17548238770; Eh
	18-Jun-2025	ooh	Naeem, Muhammad Saad	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-150.886984678; Eh
	18-Jun-2025	wo3_002_45_surf	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Geometry optimization	DFT	-	-2275.95558841; eV
	18-Jun-2025	wo3_ch2o_h2o	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Geometry optimization	DFT	-	-2323.67431079; eV
	18-Jun-2025	h2o2_gas	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-18.09273433; eV
	18-Jun-2025	wo3	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:25:58) gamma-only	Geometry optimization	DFT	-	-2277.78793505; eV
	20-Jun-2025	/Mn_proj/Molecules/IO3_/phonopy/disp_024 disp_024	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-46.28696453; eV
	20-Jun-2025	/Mn_proj/Molecules/IO3_/phonopy/disp_002 disp_002	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-46.28749414; eV
	20-Jun-2025	/Mn_proj/Molecules/IO3_/phonopy/disp_010 disp_010	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-46.28733732; eV

Results 98631-98640 of 103542 (Search time: 0.062 seconds).