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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 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
	22-Apr-2024	/FASnI3/orthorhombic-1/PBE Optimization	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complex	Geometry optimization	DFT	-	-113.15229390; eV
	15-Jul-2024	/Geom_Opt ⁴I_(SqP)	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G SDD GENECP*	-1672.72128338; Eh
	15-Jul-2024	/Geom_Opt ²I_THF	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G SDD GENECP*	-1905.26499166; Eh
	15-Jul-2024	/Geom_Opt ⁴I_(Td)	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G SDD GENECP*	-1672.73660271; Eh

Results 73981-73990 of 104126 (Search time: 0.044 seconds).