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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Jul-2023	c2h2-epo2-5-MB	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2039.24193647; eV
	10-Jul-2023	c2h2-epo2-6-MB	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2038.34041477; eV
	9-Sep-2024	/Ni_F_Ni_1/111_001/2_layer/adsorption/COCH2CH3 opt	Seemakurthi, Ranga Rohit	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex	Geometry optimization	DFT	-	-468.53592169; eV
	16-Jul-2024	/M_Fe_N_din6_s_c3_013/Rh_Fe_N_din6_s_c3_013 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-614.98989616; eV
	16-Jul-2024	/M_Fe_N_din6_s_c3_013/Pt_Fe_N_din6_s_c3_013 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-614.63922150; eV
	10-Jul-2023	h-cl-PtCl-edge-co-het	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2369.86856938; eV
	10-Jul-2023	h-cl-PtCl-keto4-het	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1964.39227883; eV
	10-Jul-2023	h-cl-PtCl-keto2-het	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1989.38932078; eV
	10-Jul-2023	hcl-Pt-epo2	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2025.71940561; eV
	27-Jul-2024	/Ni_110/TS TS_CH3+H__CH4	González Acosta, José Manuel	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-459.65603305; eV

Results 721-730 of 100136 (Search time: 0.004 seconds).