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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo06O27-11H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo06O27-12H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	16-Jan-2026	/FG_dataset/group3N/pt/111 pt-4bN1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-369.85107056; eV
	16-Jan-2026	/FG_dataset/aromatics/pd/111 pd-8a03-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-352.84630637; eV
	26-Aug-2025	/funcionais/m06/intermediario_OH opt_intermediario_OH	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization Minimum	DFT	6-311+g(d)	-2556.41866512; Eh
	26-Aug-2025	/funcionais/m06/intermediario_O opt_intermediario_O	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization Minimum	DFT	6-311+g(d)	-2556.04359174; Eh
	26-Aug-2025	/funcionais/m06/SH2 opt_se-met_2SH	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization	DFT	6-311+g(d)	-3278.43298374; Eh
	8-Aug-2025	Equatorial_ISOMER	Ballester, Pablo	TURBOMOLE; 7	Geometry optimization	DFT	def2-SVP	-3862.836290331; Eh
	8-Aug-2025	Axial_ISOMER	Ballester, Pablo	TURBOMOLE; 7	Geometry optimization	DFT	def2-SVP	-3862.849983754; Eh
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo05O22-8H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-

Results 84511-84520 of 104079 (Search time: 0.058 seconds).