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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/group3N/pt/111 pt-4bN4-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-369.98082248; eV
	14-Nov-2025	Tc2OCl10K4_triplet	Hosseini, Farzaneh	AMS; 2021.101; r94406	Geometry optimization	PBE	-	-71.283787; eV
	16-Jan-2026	/FG_dataset/aromatics/rh/111 rh-8a03-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-445.39206717; eV
	14-Nov-2025	Tc2OCl10_closeshell	Hosseini, Farzaneh	AMS; 2021.101; r94406	Geometry optimization	PBE	-	-73.724764; eV
	14-Nov-2025	Tc2OCl10K4_seplet	Hosseini, Farzaneh	AMS; 2021.101; r94406	Geometry optimization	PBE	-	-70.923936; eV
	14-Nov-2025	Tc2OCl10_openshell	Hosseini, Farzaneh	AMS; 2021.101; r94406	Geometry optimization	PBE	-	-73.724761; eV
	26-Aug-2025	/bases/aug_cc_pvtz_s_dispersao/Cl2 opt_se-met_2Cl	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization	DFT	aug-cc-pvtz	-3401.97800030; Eh
	26-Aug-2025	/bases/aug_cc_pvtz_s_dispersao/Cl opt_Cl	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Single point	DFT	aug-cc-pVTZ	-460.31048841; Eh
	14-Nov-2025	PTc(III)2W10O40_spinpol8	Hosseini, Farzaneh	AMS; 2021.101; r94406	Frequencies	PBE	-	-477.350624; eV
	16-Jan-2026	/FG_dataset/group3N/ni/111 ni-49N2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-329.67528503; eV

Results 83331-83340 of 104124 (Search time: 0.061 seconds).