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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-Sep-2023	/Adsorptions/m-ZrO₂ CO-ZrO₂	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1831.79505098; eV
	5-Sep-2023	/Adsorptions/Cu(111) CO₂-Cu	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-246.84656738; eV
	5-Sep-2023	/Adsorptions/Cu(111) H₂-Cu	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-231.04636154; eV
	20-Jun-2025	/Mn_proj/Surfaces/112/phonopy/disp_217 disp_217	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1043.61816189; eV
	4-Jul-2024	A1S-freq	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Minimum	ONIOM; B3LYP; UFF	DUMMY MIXED	-5632.82848952; Eh
	4-Jul-2024	A1S	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	ONIOM; B3LYP; UFF	DUMMY MIXED	-5632.82848950; Eh
	25-Jun-2024	/Intermediates/Ag/100 C4H9NO_10	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-206.25179175; eV
	25-Jun-2024	/Intermediates/Ir/100 C4H8_2	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-463.20795781; eV
	25-Jun-2024	/Intermediates/Cu/100 C9H8	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-279.11208879; eV
	25-Jun-2024	/Intermediates/Cd/10m11 HS	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-

Results 55271-55280 of 104126 (Search time: 0.032 seconds).