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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required6-Nov-2023/Co/adsorption/CH2 bridgeSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--496.41784071; eV
Login required6-Nov-2023/Co/adsorption/CH2 hollowSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--496.37642450; eV
Login required6-Nov-2023/Co/adsorption/CH2CH2 hollowSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--513.13111836; eV
Login required6-Nov-2023/Co/adsorption/CH2CO atopSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--512.94221720; eV
Login required6-Nov-2023/Co/adsorption/CH2CO bridgeSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--512.94318043; eV
Login required6-Nov-2023/Co/adsorption/CH2CO hollowSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--512.49551334; eV
Login required6-Nov-2023/Co/adsorption/CHCH2 3Seemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--509.17629825; eV
Login required6-Nov-2023/Co/adsorption/CHCH2 atopSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--509.13216117; eV
Login required6-Nov-2023/Co/adsorption/CHCH2 bridgeSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--506.76744968; eV
Login required6-Nov-2023/Co/adsorption/CHCH2 hollowSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--507.63117340; eV
Login required6-Nov-2023/Co/adsorption/CHO atopSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--499.49004978; eV
Login required6-Nov-2023/Co/adsorption/CHO bridgeSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--499.48814249; eV
Login required6-Nov-2023/Co/adsorption/CHO hollowSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--499.99354807; eV
Login required6-Nov-2023/Co/adsorption/CHOCH2 hollowSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--516.84187803; eV
Login required6-Nov-2023/Co/adsorption/CO hollowSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--496.61980152; eV
Login required6-Nov-2023/Co/adsorption/COCO hollowSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--511.70993994; eV
Login required6-Nov-2023/Co/adsorption/H atopSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--483.24615268; eV
Login required6-Nov-2023/Co/adsorption/H bridgeSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--483.61358718; eV
Login required6-Nov-2023/Co/adsorption/H hollowSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--483.70630429; eV
Login required6-Nov-2023/Co/NEB CH2CH2_CHCH2+HSeemakurthi, Ranga Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexGeometry optimizationDFT--513.13111836; eV