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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Aug-2024	geom56_w6_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-458.5819488; Eh
	18-Jun-2024	/Transition_states/Co/0001 2611-2501+0111	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Improved Dimer Method	DFT	-	-
	26-Aug-2024	geom166_nox2_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1182.015207; Eh
	26-Aug-2024	geom103_nox_w9_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1011.4002824; Eh
	26-Aug-2024	geom56_nox_w9_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1011.405365; Eh
	6-Sep-2024	/PBE/V V03O09-2H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-3.96459753; Eh
	6-Sep-2024	/PBE/V V03O09-0H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-3.98977340; Eh
	18-Jun-2024	/Transition_states/Co/0001 2321-2313+0011	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Improved Dimer Method	DFT	-	-
	18-Jun-2024	/Transition_states/Co/0001 2512-2401+0111	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Improved Dimer Method	DFT	-	-
	8-May-2024	/Gaussian_data_GGA WO4	Benzidi, Hind	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311G(D) LANL2DZ GEN	-368.784147038; Eh

Results 73161-73170 of 104128 (Search time: 0.05 seconds).