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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/pd/111 pd-49Na-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-319.89311846; eV
	16-Jan-2026	/FG_dataset/group3N/pd/111 pd-49N9-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-320.31881731; eV
	16-Jan-2026	/FG_dataset/group3N/pd/111 pd-49N8-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-319.55089525; eV
	16-Jan-2026	/FG_dataset/aromatics/ni/111 ni-6611-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-335.50329542; eV
	16-Jan-2026	/FG_dataset/aromatics/ni/111 ni-6601-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-328.71270047; eV
	16-Jan-2026	/FG_dataset/aromatics/ni/111 ni-6611-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-335.51715140; eV
	26-Aug-2025	/bases/aug_cc_pvtz/intermediario_OH opt_intermediario_OH	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization	DFT	aug-cc-pvtz	-2557.06749807; Eh
	26-Aug-2025	/bases/aug_cc_pvtz/OH2 opt_se-met_2OH	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization	DFT	aug-cc-pvtz	-2633.16526186; Eh
	26-Aug-2025	/bases/aug_cc_pvtz/OH opt_OH	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization Minimum	DFT	aug-cc-pvtz	-75.83619550; Eh
	14-Nov-2025	Tc2OCl8K4_2H2O_triplet	Hosseini, Farzaneh	AMS; 2021.101; r94406	Geometry optimization	PBE	-	-85.095489; eV

Results 85791-85800 of 104079 (Search time: 0.051 seconds).