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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Jul-2024	/Geom_Opt_SI_Additional ¹TS_s2	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	6-31G SDD GENECP*	-1905.2525416; Eh
	15-Jul-2024	/Geom_Opt ³TS2ᴛʜꜰ	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	6-31G SDD GENECP*	-1444.48457509; Eh
	15-Jul-2024	/Geom_Opt ³Eᴘʀᴄ	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G SDD GENECP*	-1444.48436727; Eh
	15-Jul-2024	/Geom_Opt ³E	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G SDD GENECP*	-1444.51010704; Eh
	25-Jun-2024	/Intermediates/Ag/100 C4H9NO2_3	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-215.35902845; eV
	18-Jun-2024	/Transition_states/Ru/0001 2511-2501+0011	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	DFT	-	-
	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

Results 73971-73980 of 104126 (Search time: 0.045 seconds).