1. Institute of Chemical Research of Catalonia

Browsing by Subject Bilinear model

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Showing results 1 to 20 of 1094  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Feb-2019ol-AgAu-1401García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--157.27120223; eV
thumbnail.jpeg12-Feb-2019ol-AgAu-2223García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--170.35979073; eV
thumbnail.jpeg12-Feb-2019ol-AgCd-1111García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--121.84300437; eV
thumbnail.jpeg12-Feb-2019ol-AgCd-2101García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--122.75223763; eV
thumbnail.jpeg12-Feb-2019ol-AgPt-2101García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--184.14578410; eV
thumbnail.jpeg12-Feb-2019ol-AgZn-2312García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--142.46015202; eV
thumbnail.jpeg12-Feb-2019ol-AuAg-1312García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--170.26615913; eV
thumbnail.jpeg12-Feb-2019ol-AuAg-2113García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--170.40545961; eV
thumbnail.jpeg12-Feb-2019ol-AuCd-0211García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--137.78093853; eV
thumbnail.jpeg12-Feb-2019ol-AuCd-2611García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--170.61652977; eV
thumbnail.jpeg12-Feb-2019ol-AuPd-2222García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--210.30059641; eV
thumbnail.jpeg12-Feb-2019ol-AuPt-2313García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--215.48230562; eV
thumbnail.jpeg12-Feb-2019ol-AuZn-1312García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--152.49673294; eV
thumbnail.jpeg12-Feb-2019ol-AuZn-2202García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--150.41735623; eV
thumbnail.jpeg12-Feb-2019ol-AuZn-2302García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--154.20211903; eV
thumbnail.jpeg12-Feb-2019ol-CdAg-1111García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--75.06509153; eV
thumbnail.jpeg12-Feb-2019ol-CdPd-2513García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--130.03965449; eV
thumbnail.jpeg12-Feb-2019ol-CuCo-2101García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--227.29841919; eV
thumbnail.jpeg12-Feb-2019ol-CuFe-2324García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--262.46570856; eV
thumbnail.jpeg12-Feb-2019ol-CuFe-2511García Muelas, Rodrigovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--263.50230870; eV
Showing results 1 to 20 of 1094  next >