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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Aug-2024	na	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	RB3LYP	6-31G(D)	-162.238306055; Eh
	28-Aug-2024	SP_c120cn_2c_nrs	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311+G(D,P)	-
	2-Oct-2024	/Profiles/CoNi-Ce₃SmO₇ surface	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/Profiles/CoNi-Ce₃SmO₇ CO2	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/Profiles/Ni-Ce₃SmO₇ O	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/Adsorptions/Functionals/PBEsol Co-CoNi(001)-CO	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/Adsorptions/Functionals/PBEsol Ni-CoNi(001)-CO	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/Adsorptions/Functionals/PBEsol Ni-CoNi(001)	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/Adsorptions/Functionals/PBEsol Co-CoNi(001)	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	2-Oct-2024	/Adsorptions/Functionals/RPBE CoNi(111)-CO	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-

Results 79461-79470 of 104126 (Search time: 0.045 seconds).