1. Institute of Chemical Research of Catalonia

Browsing by Author Prslja, Paulina

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Showing results 1 to 20 of 180  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-May-2019/CoN4 CoN4-cleanPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--650.16835168; eV
thumbnail.jpeg8-May-2019/CoN4 CoN4-COPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--665.84540766; eV
thumbnail.jpeg8-May-2019/CoN4 CoN4-CO2Prslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--672.86715602; eV
thumbnail.jpeg8-May-2019/CoN4 CoN4-CO2HPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--676.99232369; eV
thumbnail.jpeg8-May-2019/CoN4 CoN4-HPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--653.68697660; eV
thumbnail.jpeg8-May-2019/CoN4-H2O CoN4-H2O-cleanPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--664.63066258; eV
thumbnail.jpeg8-May-2019/CoN4-H2O CoN4-H2O-COPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--680.25176123; eV
thumbnail.jpeg8-May-2019/CoN4-H2O CoN4-H2O-CO2Prslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--687.28901806; eV
thumbnail.jpeg8-May-2019/CoN4-H2O CoN4-H2O-CO2HPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--691.42429019; eV
thumbnail.jpeg8-May-2019/CoN4-H2O CoN4-H2O-HPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--668.16542306; eV
thumbnail.jpeg8-May-2019/CoN4-OH CoN4-OH-cleanPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--660.41875735; eV
thumbnail.jpeg8-May-2019/CoN4-OH CoN4-OH-COPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--675.98013846; eV
thumbnail.jpeg8-May-2019/CoN4-OH CoN4-OH-CO2Prslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--683.27023354; eV
thumbnail.jpeg8-May-2019/CoN4-OH CoN4-OH-CO2HPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--686.65450324; eV
thumbnail.jpeg8-May-2019/CoN4-OH CoN4-OH-HPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--663.35706055; eV
thumbnail.jpeg22-Jun-2021/CoPc-MWCNT ch2ohPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1950.00838435; eV
thumbnail.jpeg22-Jun-2021/CoPc-MWCNT choPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1942.57653235; eV
thumbnail.jpeg22-Jun-2021/CoPc-MWCNT chohPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1944.73753195; eV
thumbnail.jpeg22-Jun-2021/CoPc-MWCNT cleanPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1923.23261326; eV
thumbnail.jpeg22-Jun-2021/CoPc-MWCNT coPrslja, Paulinavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--1938.75997309; eV
Showing results 1 to 20 of 180  next >