1. Institute of Chemical Research of Catalonia

Browsing by Subject Phosphorus

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Showing results 1 to 20 of 293  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required7-Nov-2022/C20H12N4 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--252.27274735; eV
Login required7-Nov-2022/C20H12P4 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--241.33904369; eV
Login required7-Nov-2022/C20H12S4 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--237.47299769; eV
Login required7-Nov-2022/C21H12N3 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--251.06349122; eV
Login required7-Nov-2022/C21H12P3 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--242.68310571; eV
Login required7-Nov-2022/C21H12S3 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--240.51970293; eV
Login required7-Nov-2022/C22H12N2_a relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--249.59976864; eV
Login required7-Nov-2022/C22H12N2_b relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--249.75454152; eV
Login required7-Nov-2022/C22H12P2_a relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--247.88403398; eV
Login required7-Nov-2022/C22H12P2_b relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--248.07955764; eV
Login required7-Nov-2022/C22H12S2_a relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--242.95007332; eV
Login required7-Nov-2022/C22H12S2_b relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--243.25082120; eV
Login required7-Nov-2022/C23H12N relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--247.96439053; eV
Login required7-Nov-2022/C23H12P relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--251.37039322; eV
Login required7-Nov-2022/C23H12S relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--244.73265391; eV
Login required7-Nov-2022/C24H12 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--246.28692351; eV
Login required11-Nov-2022/M_C20H12N4/Ag_C20H12N4 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--258.52634078; eV
Login required11-Nov-2022/M_C20H12N4/Au_C20H12N4 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--259.00197188; eV
Login required11-Nov-2022/M_C20H12N4/Cd_C20H12N4 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--257.71104398; eV
Login required11-Nov-2022/M_C20H12N4/Co_C20H12N4 relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--264.26407285; eV
Showing results 1 to 20 of 293  next >