1. Institute of Chemical Research of Catalonia

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Showing results 17280 to 17299 of 63313 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/pd/111 pd-24S1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--280.15605416; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/pd/111 pd-26S1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--286.82104218; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/pd/111 pd-26S2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--286.91021896; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/pd/111 pd-36S1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--296.69577778; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/pd/111 pd-36S2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--296.90008313; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/pd/111 pd-38S1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--303.51090652; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/pd/111 pd-38S2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--303.60563327; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/pd/111 pd-38S3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--303.58573571; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/pd/111 pd-48S1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--313.35705292; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/pd/111 pd-48S2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--313.36840363; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/pd/111 pd-48S3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--313.45938112; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/pd/111 pd-4aS1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--320.21256132; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/pd/111 pd-4aS2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--320.22085701; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/pd/111 pd-4aS3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--320.20583767; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/pd/111 pd-4aS4-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--320.26211614; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/pd/111 pd-4aS5-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--320.23950944; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/pd/111 pd-4aS6-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--320.28220169; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/pt/111 pt-12S1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--305.04372362; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/pt/111 pt-14S1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--311.74848069; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/group3S/pt/111 pt-24S1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--321.79311939; eV
Showing results 17280 to 17299 of 63313 < previous   next >