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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Aug-2024	geom2_w6_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-458.591612; Eh
	16-Jan-2026	/FG_dataset/group3S/rh/111 rh-48S3-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-406.10710375; eV
	16-Jan-2026	/FG_dataset/amidines/rh/111 rh-38Z4-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-408.52701050; eV
	19-Mar-2026	/Energy-profiles/FF-to-HF/FF-to-meso-HF-Ag-4S FA-Ag-4S(111)	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-359.11730962; eV
	26-Aug-2024	geom17_nox2_w7_opt	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RBP86	6-31G(D)	-1182.04621053; Eh
	26-Aug-2024	geom2_w10_nodisp_HLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311G(D,P)	-764.6942036; Eh
	25-Jun-2024	/Intermediates/Ni/100 C4H10N2_10	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-336.89465875; eV
	25-Jun-2024	/Intermediates/Au/100 CH2S	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-167.81393161; eV
	18-Jun-2024	/Transition_states/Ru/0001 2214-2111	Morandi, Santiago	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	DFT	-	-
	16-Jan-2026	/FG_dataset/group3S/rh/111 rh-4aS3-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-412.65521881; eV

Results 72941-72950 of 104128 (Search time: 0.043 seconds).