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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jan-2026	/FG_dataset/amidines/ir/111 ir-4aZg-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-499.08463880; eV
	16-Jan-2026	/FG_dataset/group3S/pd/111 pd-26S2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-286.91021896; eV
	16-Jan-2026	/FG_dataset/group3S/pd/111 pd-26S1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-286.82104218; eV
	7-Apr-2026	/Impact of POM-decoration MoS2_PW12_Triplet	Hosseini, Farzaneh; Bo, Carles; Solé Daura, Albert	AMS; 2021.101; r94406	Geometry optimization	PBE	-	-1270.031600; eV
	7-Apr-2026	/Impact of POM-decoration Pristine_MoS2	Hosseini, Farzaneh; Bo, Carles; Solé Daura, Albert	AMS; 2021.101; r94406	Geometry optimization	PBE	-	-820.998672; eV
	26-Aug-2024	geom5_nox2_w9_nodisp_HLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311G(D,P)	-1335.3290813; Eh
	26-Aug-2024	geom5_nox2_w9_opt	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RBP86	6-31G(D)	-1334.93044224; Eh
	26-Aug-2024	geom109_nox_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-934.959749; Eh
	26-Aug-2024	geom171_nox_w5_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-705.6351843; Eh
	26-Aug-2024	geom2_aa_A_HLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	CC-PVTZ	-6872.1295162; Eh

Results 71331-71340 of 104445 (Search time: 0.045 seconds).