1. Institute of Chemical Research of Catalonia

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Showing results 43953 to 43972 of 63196 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required14-Feb-2023/P_din6_as_c2_35 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--603.78283175; eV
Login required14-Feb-2023/P_din6_as_c2_35 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--604.41420598; eV
Login required14-Feb-2023/P_din6_as_c2_35 scMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--604.41457033; eV
Login required14-Feb-2023/P_din6_as_c2_36 dosMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--604.79836969; eV
Login required14-Feb-2023/P_din6_as_c2_36 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--604.01425122; eV
Login required14-Feb-2023/P_din6_as_c2_36 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--604.78862442; eV
Login required14-Feb-2023/P_din6_as_c2_36 scMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--604.78859960; eV
Login required14-Feb-2023/P_din6_as_c3_123 dosMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--607.79889515; eV
Login required14-Feb-2023/P_din6_as_c3_123 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--607.13870696; eV
Login required14-Feb-2023/P_din6_as_c3_123 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--607.77071010; eV
Login required14-Feb-2023/P_din6_as_c3_123 scMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--607.78914523; eV
Login required14-Feb-2023/P_din6_as_c3_124 dosMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--608.00964785; eV
Login required14-Feb-2023/P_din6_as_c3_124 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--607.71771290; eV
Login required14-Feb-2023/P_din6_as_c3_124 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--608.00068109; eV
Login required14-Feb-2023/P_din6_as_c3_124 scMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--608.00236959; eV
Login required14-Feb-2023/P_din6_as_c3_125 dosMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--607.16305687; eV
Login required14-Feb-2023/P_din6_as_c3_125 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--606.47828774; eV
Login required14-Feb-2023/P_din6_as_c3_125 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--607.16755769; eV
Login required14-Feb-2023/P_din6_as_c3_125 scMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--607.16717635; eV
Login required14-Feb-2023/P_din6_as_c3_163 dosMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--607.71707753; eV
Showing results 43953 to 43972 of 63196 < previous   next >