1. Institute of Chemical Research of Catalonia

Browsing by Title

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:  
Showing results 6485 to 6504 of 63313 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Oct-2022/BM_dataset/plastics/pt PPitMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1388.20404055; eV
thumbnail.jpeg11-Oct-2022/BM_dataset/plastics/pt PPstMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1388.49754587; eV
thumbnail.jpeg11-Oct-2022/BM_dataset/plastics/pt PSMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1345.57274884; eV
thumbnail.jpeg11-Oct-2022/BM_dataset/plastics/ru PETMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--2031.87203107; eV
thumbnail.jpeg11-Oct-2022/BM_dataset/plastics/ru PSMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1906.97640604; eV
thumbnail.jpeg11-Oct-2022/BM_dataset/polyurethanes/ag mol16Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--494.62122612; eV
thumbnail.jpeg11-Oct-2022/BM_dataset/polyurethanes/ag mol17Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--533.99336182; eV
thumbnail.jpeg11-Oct-2022/BM_dataset/polyurethanes/ag mol18Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--533.91868545; eV
thumbnail.jpeg11-Oct-2022/BM_dataset/polyurethanes/ag mol19Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--573.27168956; eV
thumbnail.jpeg11-Oct-2022/BM_dataset/polyurethanes/ag mol41Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--621.15780623; eV
thumbnail.jpeg11-Oct-2022/BM_dataset/polyurethanes/au mol16Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--720.85766062; eV
thumbnail.jpeg11-Oct-2022/BM_dataset/polyurethanes/au mol17Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--760.07426811; eV
thumbnail.jpeg11-Oct-2022/BM_dataset/polyurethanes/au mol18Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--759.99216945; eV
thumbnail.jpeg11-Oct-2022/BM_dataset/polyurethanes/au mol19Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--799.30033182; eV
thumbnail.jpeg11-Oct-2022/BM_dataset/polyurethanes/au mol41Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--847.37214870; eV
thumbnail.jpeg11-Oct-2022/BM_dataset/polyurethanes/cu mol16Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--633.01992893; eV
thumbnail.jpeg11-Oct-2022/BM_dataset/polyurethanes/cu mol17Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--672.14948856; eV
thumbnail.jpeg11-Oct-2022/BM_dataset/polyurethanes/cu mol18Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--672.10109129; eV
thumbnail.jpeg11-Oct-2022/BM_dataset/polyurethanes/cu mol19Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--711.37304404; eV
thumbnail.jpeg11-Oct-2022/BM_dataset/polyurethanes/cu mol41Morandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--759.46923360; eV
Showing results 6485 to 6504 of 63313 < previous   next >