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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/Ru/0001 2214-2113	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	DFT	-	-
	19-Mar-2026	/Energy-profiles/FF-to-HF/FF-to-dl-HF-Ag FA-Ag(111)	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-339.51323819; eV
	15-Jul-2024	/Geom_Opt ²N	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G SDD GENECP*	-1213.36991272; Eh
	15-Jul-2024	/Geom_Opt ²TS3ᴛʜꜰ	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	6-31G SDD GENECP*	-1904.76227239; Eh
	15-Jul-2024	/Geom_Opt ²Fᴘʀᴄ	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G SDD GENECP*	-1904.76296489; Eh
	26-Aug-2024	geom114_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-535.0209644; Eh
	6-Sep-2024	/PBE/AsMo As00Mo02O07-1H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-2.95886871; Eh
	25-Jun-2024	/Intermediates/Ag/100 C3H7NO2_3	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-198.23328323; eV
	25-Jun-2024	/Intermediates/Ag/100 C3H7NO2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-198.63071957; eV
	25-Jun-2024	/Intermediates/Ni/100 C4H9N_9	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-324.34412241; eV

Results 74531-74540 of 104126 (Search time: 0.045 seconds).