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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/amides/os/0001 os-49X3-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-605.08721928; eV
	16-Jan-2026	/FG_dataset/amides/os/0001 os-49X2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-604.50414574; eV
	16-Jan-2026	/BM_dataset/biomass/ru mol1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-995.70888905; eV
	19-Mar-2026	/VMo V00Mo03O10-2H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-4.12861861; Eh
	19-Mar-2026	/PW P01W09O34-0H-iso-0	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-14.74496212; Eh
	6-Sep-2024	/BP86/W W02O07-2H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	18-Jun-2024	/Transition_states/Cu/111 2423-2324	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex	Improved Dimer Method	DFT	-	-
	18-Jun-2024	/Transition_states/Cu/111 2522-2423	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex	Improved Dimer Method	DFT	-	-
	18-Jun-2024	/Transition_states/Cu/111 2301-2201	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	DFT	-	-
	7-Mar-2024	A8	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G LANL2DZ SDD GENECP*	-1113.16512538; Eh

Results 51301-51310 of 104124 (Search time: 0.031 seconds).