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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Jan-2022	/Cluster_(O) HS_Co-H2O_Cluster_(O)	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UTPSSh	DEF2TZVP DEF2SVP GEN	-3653.14077198; Eh
	25-Jun-2024	/Intermediates/Pd/110 C4H10N2_18	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-446.55076908; eV
	25-Jun-2024	/Intermediates/Au/110 C4H8O_3	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-293.11408337; eV
	25-Jun-2024	/Intermediates/Cu/111 C2H2O2_1	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	18-Jun-2024	/Transition_states/Os/0001 2422-2414+0011	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	16-Jan-2026	/FG_dataset/amidines/ru/0001 ru-4aZ2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-514.45029419; eV
	2-Oct-2023	/Co3O4 Co3O4_surf_pbesol_solv	Benzidi, Hind	vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex	Single point	DFT	-	-711.32419492; eV
	19-Mar-2026	/PTaW P00Ta01W02O11-1H-iso-1	Buils, Jordi	ADF; 2019	Geometry optimization	PBE	TZP	-5.02261110; Eh
	25-Jun-2024	/Intermediates/Pd/110 C4H10N2_16	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-446.84731118; eV
	2-Oct-2023	/Co3O4 Co3O4_surf_pbe_solv	Benzidi, Hind	vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex	Single point	DFT	-	-720.26728138; eV

Results 31411-31420 of 104079 (Search time: 0.022 seconds).