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Browsing by Author Vidal López, Anna

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Showing results 21 to 40 of 75 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Aug-2021/Model_System/Adsorptions/CO CO-Model2Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complexGeometry optimizationDFT--220.87120817; eV
thumbnail.jpeg27-Aug-2021/Model_System/Adsorptions/CO CO-Model3Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--241.77838830; eV
thumbnail.jpeg27-Aug-2021/Model_System/Adsorptions/CO CO-Model4Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--248.30933021; eV
thumbnail.jpeg27-Aug-2021/Model_System/Adsorptions/CO CO-Model5Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complexGeometry optimizationDFT--255.08485274; eV
thumbnail.jpeg27-Aug-2021/Model_System/Adsorptions/H Cu111Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--35.52868460; eV
thumbnail.jpeg27-Aug-2021/Model_System/Adsorptions/H Model1Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--198.04306414; eV
thumbnail.jpeg27-Aug-2021/Model_System/Adsorptions/H Model1bVidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complexGeometry optimizationDFT--200.62669064; eV
thumbnail.jpeg27-Aug-2021/Model_System/Adsorptions/H Model4Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexGeometry optimizationDFT--239.15988899; eV
thumbnail.jpeg27-Aug-2021/Model_System/Bader CO-Cu111Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexSingle pointDFT--44.51172125; eV
thumbnail.jpeg27-Aug-2021/Model_System/Bader CO-Cu2OVidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexSingle pointDFT--240.31266335; eV
thumbnail.jpeg27-Aug-2021/Model_System/Bader CO-Model1Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexSingle pointDFT--206.83917784; eV
thumbnail.jpeg27-Aug-2021/Model_System/Bader CO-Model2Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complexSingle pointDFT--220.87120021; eV
thumbnail.jpeg27-Aug-2021/Model_System/Bader CO-Model3Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexSingle pointDFT--241.77839176; eV
thumbnail.jpeg27-Aug-2021/Model_System/Bader CO-Model4Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexSingle pointDFT--248.30932129; eV
thumbnail.jpeg27-Aug-2021/Model_System/Bader CO-Model5Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complexSingle pointDFT--255.08484320; eV
thumbnail.jpeg27-Aug-2021/Model_System/Bader Cu2ObulkVidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complexSingle pointDFT--11.98281388; eV
thumbnail.jpeg27-Aug-2021/Model_System/Bader CubulkVidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexSingle pointDFT--2.54956148; eV
thumbnail.jpeg27-Aug-2021/Model_System/Bader CuObulkVidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 31 2018 12:28:05) complexSingle pointDFT--10.38139122; eV
thumbnail.jpeg27-Aug-2021/Model_System/Frequences/BEEF_vdW CO+Mode3Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexFrequenciesDFT--241.78759521; eV
thumbnail.jpeg27-Aug-2021/Model_System/Frequences/BEEF_vdW CO+Model1Vidal López, Annavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 28 2018 16:43:27) complexFrequenciesDFT--206.84093218; eV
Showing results 21 to 40 of 75 < previous   next >