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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 Cl•ᐧᐧᐧ(THF)₃	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G GEN*	-1157.58154829; Eh
	15-Jul-2024	/Geom_Opt Cl•ᐧᐧᐧ(THF)₂	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G GEN*	-925.104395580; Eh
	15-Jul-2024	/Geom_Opt Cl•ᐧᐧᐧTHF	Sharma, Akhilesh Kumar	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G GEN*	-692.633831580; Eh
	26-Aug-2024	geom30_aa_A_LLT_631Gd	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	6-31G(D)	-6869.7942999; Eh
	26-Aug-2024	geom112_nox2_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1182.020399; Eh
	26-Aug-2024	geom17_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-535.0315299; Eh
	16-Jan-2026	/FG_dataset/amidines/pd/111 pd-4aZf-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-332.44893633; eV
	16-Jan-2026	/FG_dataset/group3S/ni/111 ni-14S1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-279.64269559; eV
	22-Apr-2024	/MASnI3/pseudo-cubic/PBEsol SOC	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complex	Single point	DFT	-	-53.41850487; eV
	6-Sep-2024	/PBE/PMo P01Mo05O19-2H	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-7.75095078; Eh

Results 74041-74050 of 104126 (Search time: 0.045 seconds).