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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Sep-2025	/HFIP_mechanism EDA_complex	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-1123.99518748; Eh
	19-Mar-2026	/AsMoW As01Mo05W07O40-0H-iso-21974833	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.60724527; Eh
	19-Mar-2026	/AsMoW As01Mo06W06O40-0H-iso-1633320	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.54579117; Eh
	19-Mar-2026	/AsMoW As01Mo01W04O19-2H-iso-96	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-7.81552607; Eh
	25-Sep-2025	/side_reactions I7	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-76.7660112128; Eh
	26-Aug-2025	/semi_empirico/pm3/intermediario_O opt_intermediario_O	Dias da Silva, Gabriela	Orca; 3.0.3; RELEASE	Geometry optimization Minimum	PM3	-	-30.05423912; Eh
	14-Nov-2025	PTc(IV)2W10O40_open-shell	Hosseini, Farzaneh	AMS; 2021.101; r94406	Frequencies	PBE	-	-472.753628; eV
	16-Jan-2026	/FG_dataset/group3N/ni/111 ni-49N6-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-329.46634898; eV
	16-Jan-2026	/FG_dataset/aromatics/ru/0001 ru-5601-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-491.21116863; eV
	16-Jan-2026	/FG_dataset/aromatics/ru/0001 ru-6601-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-499.28022755; eV

Results 82071-82080 of 104124 (Search time: 0.049 seconds).