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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/SiW Si00W03O09-1H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-3.65263346; Eh
	12-Nov-2025	/Tc2OCln-2H2O/Tc2OCl8_2H2O/Tc2OCl8_2H2O_triplet Tc2OCl8_2H2O_triplet	Hosseini, Farzaneh	AMS; 2021.101; r94406	Geometry optimization	PBE	-	-89.263123; eV
	12-Nov-2025	/Tc2OCln-2H2O/Tc2OCl8_2H2O/Tc2OCl8_2H2O_singlet Tc2OCl8_2H2O_singlet	Hosseini, Farzaneh	AMS; 2021.101; r94406	Geometry optimization	PBE	-	-89.472859; eV
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo09O38-19H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo09O38-17H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo18O65-16H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	26-Feb-2025	/single_point_recalculations_Eel/T25 Mo09O38-18H	Junkers, Laura S.	ADF; 2019	Single point	PBE	TZP	-
	16-Jan-2026	/FG_dataset/group3N/cd/0001 cd-4bN1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-122.17943632; eV
	16-Jan-2026	/FG_dataset/aromatics/au/111 au-44S1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-205.52397603; eV
	16-Jan-2026	/FG_dataset/aromatics/au/111 au-4411-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-207.71307160; eV

Results 84481-84490 of 104079 (Search time: 0.051 seconds).