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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-May-2023	/In₂O₃-rearrangment/In₂O₃-Pd In₂O₃-Pd-19vac	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-585.51079077; eV
	2-May-2023	/In₂O₃-rearrangment/In₂O₃-Pd In₂O₃-Pd-18vac	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-592.30438845; eV
	31-Jul-2023	/M_P_SACs/M_tr_C4P1/Os_tr_C4P1 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-636.50513173; eV
	31-Jul-2023	/M_P_SACs/M_tr_C4P1/Co_tr_C4P1 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-632.96696569; eV
	5-Feb-2024	/Adsorptions/Cu(111) vdW-H₂-Cu	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Nov 03 2023 15:27:38) complex	N/A	DFT	-	-253.54053537; eV
	6-Sep-2024	/BP86/W W05O17-2H	Buils, Jordi	ADF; 2019	Single point	BP86	TZP	-
	5-Feb-2024	/Cu-ZnZrOx/Cu-Zn₃ZrOx-configurations Cu-Zn₃ZrOx-conf1	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1756.48723822; eV
	5-Feb-2024	/Adsorptions/ZnZrOx vdW-CH₃O-ZnZrOx	Morales-Vidal, Jordi	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-498.36414489; eV
	5-Feb-2024	/Adsorptions/Cu(111) vdW-CO-Cu	Morales-Vidal, Jordi	vasp; 6.4.2; 20Jul23 (build Nov 03 2023 15:27:38) complex	N/A	DFT	-	-269.33309113; eV
	14-Jun-2024	/Au25_clusters/Au25_react Au24Agk_SH-SH_CO2	Ibáñez-Alé, Enric	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Single point	DFT	-	-507.92790292; eV

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