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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Sep-2024	/M06L/V V04O12-1H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	26-Aug-2024	geom4_w6_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-458.5910318; Eh
	15-Jul-2024	/Geom_Opt_SI_Additional ¹TS_s4	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	6-31G SDD GENECP*	-1905.32914140; Eh
	15-Jul-2024	/Geom_Opt_SI_Additional ¹TS_s1	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	6-31G SDD GENECP*	-1905.33998265; Eh
	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	-	-

Results 74521-74530 of 104126 (Search time: 0.047 seconds).