1. Institute of Chemical Research of Catalonia

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Showing results 15900 to 15919 of 63047 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/ni/111 ni-25_1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--310.21304427; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/ni/111 ni-25_2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--310.37397296; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/ni/111 ni-37_1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--327.36562896; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/ni/111 ni-37_2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--327.16866550; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/ni/111 ni-37_3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--326.77520715; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/ni/111 ni-37_4-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--326.68598986; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/ni/111 ni-49_1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--344.13975273; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/ni/111 ni-49_2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--343.70952410; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/ni/111 ni-49_3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--343.95878461; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/ni/111 ni-49_4-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--343.84290052; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/ni/111 ni-49_5-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--343.48166278; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/ni/111 ni-49_6-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--343.35319975; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/ni/111 ni-49_7-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--343.51466030; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/ni/111 ni-49_8-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--343.08404083; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/os/0001 os-13_1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--561.83860434; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/os/0001 os-25_1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--578.34914243; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/os/0001 os-25_2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--578.30967164; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/os/0001 os-37_1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--594.94183913; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/os/0001 os-37_2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--595.02414293; eV
thumbnail.jpeg28-Sep-2022/FG_dataset/carbamate_esters/os/0001 os-37_3-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--594.65530219; eV
Showing results 15900 to 15919 of 63047 < previous   next >