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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Jun-2024	/Transition_states/Co/0001 2323-2221	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 2413-2311	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 2513-2415	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Improved Dimer Method	DFT	-	-
	26-Aug-2024	geom55_nox2_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1182.0178703; Eh
	26-Aug-2024	geom101_nox_w10_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1087.8460835; Eh
	6-Sep-2024	/PBE/W W07O24-1H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-10.54220033; Eh
	6-Sep-2024	/PBE/W W07O24-0H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-10.54030015; Eh
	6-Sep-2024	/B3LYP/PMo P01Mo00O04-0H	Buils, Jordi	ADF; 2019	Single point	B3LYP	TZP	-
	18-Jun-2024	/Transition_states/Co/0001 2425-2323	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 2411-2312	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Improved Dimer Method	DFT	-	-

Results 74921-74930 of 104126 (Search time: 0.044 seconds).