Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required28-Sep-2022/FG_dataset/aromatics2/ni/111 ni-97N2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--368.77649214; eV
Login required28-Sep-2022/FG_dataset/aromatics2/ni/111 ni-97N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--368.73626009; eV
Login required28-Sep-2022/FG_dataset/aromatics2/ni/111 ni-87N2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--359.17811232; eV
Login required28-Sep-2022/FG_dataset/aromatics2/ni/111 ni-87N1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--359.15158835; eV
Login required28-Sep-2022/FG_dataset/aromatics2/ni/111 ni-86S2-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--351.59574125; eV
Login required28-Sep-2022/FG_dataset/aromatics2/ni/111 ni-86S1-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--351.62762728; eV
Login required28-Sep-2022/FG_dataset/aromatics2/ni/111 ni-8612-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--353.29317126; eV
Login required28-Sep-2022/FG_dataset/aromatics2/ni/111 ni-8611-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--353.22300155; eV
Login required28-Sep-2022/FG_dataset/aromatics2/ir/111 ir-a801-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--530.92541296; eV
Login required28-Sep-2022/FG_dataset/aromatics2/ir/111 ir-9802-aMorandi, Santiagovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--521.07531149; eV
Results 1-10 of 2925 (Search time: 0.001 seconds).

Discover

Method