1. Institute of Chemical Research of Catalonia

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Showing results 17107 to 17126 of 63196 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/ir/111 ir-26S1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--453.68069516; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/ir/111 ir-26S2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--453.83598446; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/ir/111 ir-36S1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--463.73548338; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/ir/111 ir-36S2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--463.91360666; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/ir/111 ir-38S1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--470.37436791; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/ir/111 ir-38S2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--470.31605643; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/ir/111 ir-38S3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--470.45619158; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/ir/111 ir-48S1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--480.42696539; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/ir/111 ir-48S2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--480.41118541; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/ir/111 ir-48S3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--480.49912831; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/ir/111 ir-4aS1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--487.06374806; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/ir/111 ir-4aS2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--487.06255797; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/ir/111 ir-4aS3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--487.05541631; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/ir/111 ir-4aS4-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--487.05958121; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/ir/111 ir-4aS5-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--487.07638929; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/ir/111 ir-4aS6-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--487.16611239; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/ni/111 ni-12S1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--272.98053935; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/ni/111 ni-14S1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--279.64269559; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/ni/111 ni-24S1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--289.70578948; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/ni/111 ni-26S1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--296.31574913; eV
Showing results 17107 to 17126 of 63196 < previous   next >