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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Jun-2024	/Transition_states/Rh/111 2202-2101	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	DFT	-	-
	16-Jan-2026	/FG_dataset/amidines/rh/111 rh-4aZl-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-424.06862944; eV
	16-Jan-2026	/FG_dataset/amidines/rh/111 rh-4aZm-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-424.16554507; eV
	16-Jan-2026	/FG_dataset/group3S/cd/0001 cd-36S1-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-89.51122683; eV
	19-Mar-2026	/AsTaW As01Ta05W04O31-1H-iso-17640	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-13.76078955; Eh
	26-Aug-2024	geom29_aa_A_LLT_631Gd	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RBP86	6-31G(D)	-6869.7937795; Eh
	26-Aug-2024	geom107_nox2_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1182.0169609; Eh
	26-Aug-2024	geom59_nox2_w7_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1182.0148304; Eh
	16-Jul-2024	/M_Fe_N_din6_s_c4_0124/Pd_Fe_N_din6_s_c4_0124 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-612.88185002; eV
	16-Jul-2024	/M_Fe_N_din6_s_c4_0124/Pt_Fe_N_din6_s_c4_0124 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-613.82598381; eV

Results 74221-74230 of 104126 (Search time: 0.045 seconds).