Browsing by Author Ortuño, Manuel

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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg1ru-buteneOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyPBE--4827.09898229; eV
thumbnail.jpeg1ru-hydrideOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyPBE--4760.10708060; eV
thumbnail.jpegAOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexPBE--502.71135114; eV
thumbnail.jpegA1Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexPBE--632.14220602; eV
thumbnail.jpegA1_(A)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex---355.74262677; eV
thumbnail.jpegA1aOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexPBE--632.17100266; eV
thumbnail.jpegA1bOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexPBE--632.14541995; eV
thumbnail.jpegA1cOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexPBE--632.15490732; eV
thumbnail.jpegA2Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexPBE--632.82571537; eV
thumbnail.jpegA2Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex---665.31417151; eV
thumbnail.jpegA3Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexPBE--633.56368357; eV
thumbnail.jpegA3Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex---665.34279435; eV
thumbnail.jpegA4Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexPBE--633.69913096; eV
thumbnail.jpegA4Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex---355.43437885; eV
thumbnail.jpegA5Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexPBE--567.31843458; eV
thumbnail.jpegA6Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexPBE--633.56975145; eV
thumbnail.jpegA7Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexPBE--633.66663040; eV
thumbnail.jpegA8Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexPBE--633.36878339; eV
thumbnail.jpegA9Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexPBE--634.24860607; eV
thumbnail.jpegacetic-acidOrtuño, Manuelvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyPBE--46.80120279; eV