1. Institute of Chemical Research of Catalonia

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Showing results 27437 to 27456 of 62999 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required31-Jul-2023/M_N_SACs/M_tr_C4N3/Co_tr_C4N3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--636.00852689; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4N3/Cu_tr_C4N3 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--632.05263371; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4N3/Cu_tr_C4N3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--632.53576520; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4N3/Fe_tr_C4N3 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--636.73983043; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4N3/Fe_tr_C4N3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--637.59362145; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4N3/Ir_tr_C4N3 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--634.54722166; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4N3/Ir_tr_C4N3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--635.39272997; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4N3/Ni_tr_C4N3 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--633.62580260; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4N3/Ni_tr_C4N3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--634.43681729; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4N3/Os_tr_C4N3 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--636.51906246; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4N3/Os_tr_C4N3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--637.51989121; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4N3/Pd_tr_C4N3 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--631.85013299; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4N3/Pd_tr_C4N3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--632.46082295; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4N3/Pt_tr_C4N3 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--631.95356183; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4N3/Pt_tr_C4N3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--632.79018251; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4N3/Rh_tr_C4N3 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--634.01851209; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4N3/Rh_tr_C4N3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--634.65953184; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4N3/Ru_tr_C4N3 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--635.69492126; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4N3/Ru_tr_C4N3 rel_331Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--636.64995052; eV
Login required31-Jul-2023/M_N_SACs/M_tr_C4N3/Zn_tr_C4N3 rel_111Minotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--630.97192271; eV
Showing results 27437 to 27456 of 62999 < previous   next >