1. Institute of Chemical Research of Catalonia

Browsing by Subject Graphene

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Showing results 1 to 20 of 3021  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required24-Oct-2022dosMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--666.58640348; eV
Login required10-Nov-2022/M_N_din4_x2_c0/Ag_N_din4_x2_c0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--618.54198022; eV
Login required10-Nov-2022/M_N_din4_x2_c0/Ag_N_din4_x2_c0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.16136500; eV
Login required10-Nov-2022/M_N_din4_x2_c0/Au_N_din4_x2_c0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--619.58067776; eV
Login required10-Nov-2022/M_N_din4_x2_c0/Au_N_din4_x2_c0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.18308587; eV
Login required10-Nov-2022/M_N_din4_x2_c0/Cd_N_din4_x2_c0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--617.26973906; eV
Login required10-Nov-2022/M_N_din4_x2_c0/Cd_N_din4_x2_c0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--618.02402756; eV
Login required10-Nov-2022/M_N_din4_x2_c0/Co_N_din4_x2_c0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.31374339; eV
Login required10-Nov-2022/M_N_din4_x2_c0/Co_N_din4_x2_c0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--625.85374963; eV
Login required10-Nov-2022/M_N_din4_x2_c0/Cu_N_din4_x2_c0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--620.72511890; eV
Login required10-Nov-2022/M_N_din4_x2_c0/Cu_N_din4_x2_c0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--621.45724145; eV
Login required10-Nov-2022/M_N_din4_x2_c0/Fe_N_din4_x2_c0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--626.81784212; eV
Login required10-Nov-2022/M_N_din4_x2_c0/Fe_N_din4_x2_c0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.48479440; eV
Login required10-Nov-2022/M_N_din4_x2_c0/Ir_N_din4_x2_c0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.27603883; eV
Login required10-Nov-2022/M_N_din4_x2_c0/Ir_N_din4_x2_c0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--627.74208135; eV
Login required10-Nov-2022/M_N_din4_x2_c0/Ni_N_din4_x2_c0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--623.33398407; eV
Login required10-Nov-2022/M_N_din4_x2_c0/Ni_N_din4_x2_c0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--624.04675052; eV
Login required10-Nov-2022/M_N_din4_x2_c0/Os_N_din4_x2_c0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--629.21830122; eV
Login required10-Nov-2022/M_N_din4_x2_c0/Os_N_din4_x2_c0 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--630.09514031; eV
Login required10-Nov-2022/M_N_din4_x2_c0/Pd_N_din4_x2_c0 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--622.68567123; eV
Showing results 1 to 20 of 3021  next >