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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Jul-2025	h_15_fe_ni3p2	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-835.15455358; eV
	2-Jul-2025	/CuOx_testDD/model_1/OCCO/2CO 2CO	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-495.36300983; eV
	17-Jul-2025	h_8_fe_ni3p2	Naeem, Muhammad Saad	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-811.51894165; eV
	2-Jul-2025	/CuOx_testDD/model_1/OCHCH OCHCH	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-383.40843369; eV
	2-Jul-2025	/CuOx_testDD/model_1/CCH2 CCH2	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-370.72693007; eV
	28-Aug-2024	SP_obn_an_m2_MeProp	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-617.2875798; Eh
	28-Aug-2024	SP_obn_rad_MeProp	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(D,P)	-385.5466909; Eh
	28-Aug-2024	SP_obn_an_m2_PMMA	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-617.2788998; Eh
	28-Aug-2024	SP_obn_rad_MeButa	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(D,P)	-385.5465302; Eh
	28-Aug-2024	SP_obn_an_MeProp	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-385.6961906; Eh

Results 91771-91780 of 103928 (Search time: 0.045 seconds).