1. Institute of Chemical Research of Catalonia

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Showing results 14731 to 14750 of 62999 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/cu/111 cu-37X1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--240.28253040; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/cu/111 cu-37X2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--240.73972515; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/cu/111 cu-37X3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--240.08821375; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/cu/111 cu-37X4-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--240.31469763; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/cu/111 cu-49X1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--257.02953926; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/cu/111 cu-49X2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--256.97127768; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/cu/111 cu-49X3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--257.42995845; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/cu/111 cu-49X4-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--257.40691665; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/cu/111 cu-49X5-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--256.74486391; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/cu/111 cu-49X6-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--257.20447892; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/cu/111 cu-49X7-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--256.97804797; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/cu/111 cu-49X8-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--256.86314490; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/gas 13X1Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--35.32056159; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/gas 25X1Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--51.71780145; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/gas 25X2Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--52.15327434; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/gas 37X1Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--68.36988191; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/gas 37X2Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--68.74951717; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/gas 37X3Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--68.15812067; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/gas 37X4Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--68.52948564; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/amides/gas 49X1Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--85.09142633; eV
Showing results 14731 to 14750 of 62999 < previous   next >