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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	25-Jun-2024	/Intermediates/Ir/110 C3H8N2_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-672.90249962; eV
	25-Jun-2024	/Intermediates/Au/110 C4H10O_4	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-300.85134990; eV
	25-Jun-2024	/Intermediates/Ir/111 C2H5O_2	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Ir/111 C2H6O	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Cu/111 C2O2	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	DFT	-	-
	16-Jan-2026	/FG_dataset/group2/ru/0001 ru-3611-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-479.29498845; eV
	2-Oct-2023	/Co3O4 Co3O4_surf_dft-u_solv	Benzidi, Hind	vasp; 5.3.3; 18Dez12 (build Mar 13 2019 16:05:56) complex	Single point	DFT	-	-602.37510450; eV
	1-Jul-2023	pristine-3xN6-Ru-4xN6-8.18_18	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1968.04700757; eV
	31-Jan-2022	/MECP_Cluster_(O)/MECP_Co-OH LS_Co-OH_MECP_Cluster_(O)_	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UTPSSh	DEF2TZVP DEF2SVP GEN	-3652.47940918; Eh
	25-Jun-2024	/Intermediates/Cu/110 C4H10O_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-332.31939159; eV

Results 30141-30150 of 103542 (Search time: 0.018 seconds).