1. Institute of Chemical Research of Catalonia

Search        

Start a new search
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-May-2017Pd-2325García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complexGeometry optimization---284.36548165; eV
thumbnail.jpeg8-May-2017Pd-2301García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---271.20617676; eV
thumbnail.jpeg29-Feb-2016Int3b-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-3793.33374990; Eh
thumbnail.jpeg29-Feb-2016FCb-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2464.19171567; Eh
thumbnail.jpeg8-May-2017Cu-5-33García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complexImproved Dimer Method---151.50809379; eV
thumbnail.jpeg29-Feb-2016Int3b-trans-solvGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3793.39132857; Eh
thumbnail.jpeg8-May-2017Cu-3-28García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexSingle point---165.78670046; eV
thumbnail.jpeg8-May-2017Pd-2112García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---269.65199687; eV
thumbnail.jpeg8-May-2017Pd-2321García Muelas, Rodrigovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimization---283.39813132; eV
thumbnail.jpeg8-Jun-2020/2,4-TDA_to_MC1 TS1Rellán, Marcosvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complexGeometry optimizationDFT--1296.17765033; eV
Results 20261-20270 of 104510 (Search time: 0.012 seconds).

Discover