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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_275 disp_275	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.60745273; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_093 disp_093	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61471949; eV
	26-Aug-2024	geom55_nox2_w6_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1105.5772359; Eh
	26-Aug-2024	geom160_nox_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-858.5253062; Eh
	26-Aug-2024	geom27_ee_opt	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RBP86	6-31G	-6614.86404070; Eh
	6-Sep-2024	/PBE/W W06O22-0H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-9.67521142; Eh
	6-Sep-2024	/PBE/W W10O32-0H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-13.86667741; Eh
	6-Sep-2024	/B3LYP/PMo P00Mo03O10-0H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
	18-Jun-2024	/Transition_states/Co/0001 2314-2211	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 2224-2121	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Improved Dimer Method	DFT	-	-

Results 74341-74350 of 104126 (Search time: 0.056 seconds).