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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Apr-2024	/Adsorptions CO-Ni-CoNi(001)	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-210.26954529; eV
	19-Apr-2024	/Adsorptions CO-Co-CoNi(001)	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-210.16980922; eV
	19-Apr-2024	/Adsorptions CO-CoNi(001)	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-210.05566555; eV
	19-Apr-2024	/Profiles/Ni(001) CO₂	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-193.43574647; eV
	19-Apr-2024	/Profiles/Ni(001) TS	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-193.13191901; eV
	19-Apr-2024	/Adsorptions CO-Ni(001)	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-186.95733253; eV
	19-Apr-2024	/Adsorptions CO-Ni(111)	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-364.54830911; eV
	19-Apr-2024	/Adsorptions CO-CoNi(111)	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Nov 03 2023 15:27:38) complex	N/A	DFT	-	-412.04887730; eV
	26-Aug-2024	geom18_nox3_w6_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-1429.0701854; Eh
	26-Aug-2024	geom66_nox_w6_HLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311G(D,P)	-782.401436; Eh

Results 56371-56380 of 104126 (Search time: 0.033 seconds).