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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Jul-2023	Ru-4xN6-Ru-4xN6-7.48_21	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1967.52613527; eV
	24-Apr-2020	Pd111_orth_small-bridge	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-102.63615941; eV
	26-Aug-2024	geom39_nox_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-934.9698761; Eh
	26-Aug-2024	geom78_ae_A	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	6-31G	-6741.4085439; Eh
	25-Jun-2024	/Intermediates/Cu/110 C4H9NO2_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-344.20209838; eV
	25-Jun-2024	/Intermediates/Rh/110 C2H6	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-532.23431901; eV
	18-Jun-2024	/Transition_states/Os/0001 2001-1001+1001	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-
	1-Jul-2023	Ru-4xN6-pristine-4xN6-8.61_30	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1957.62559985; eV
	1-Jul-2023	Ru-4xN6-Ru-4xN6-5.64_10	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1967.72288501; eV
	24-Apr-2020	Pd111_orth_small-reverse	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-100.75613826; eV

Results 30021-30030 of 103542 (Search time: 0.019 seconds).