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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Mar-2018A8Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexFrequenciesPBE--633.36878339; eV
thumbnail.jpeg26-Mar-2018A2Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexFrequenciesPBE--632.82571537; eV
thumbnail.jpeg26-Mar-2018A5Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexFrequenciesPBE--567.31843458; eV
thumbnail.jpeg26-Mar-2018acidOrtuño, Manuelvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationPBE--96.61084174; eV
thumbnail.jpeg26-Mar-2018A1aOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimizationPBE--632.17100266; eV
thumbnail.jpeg27-Mar-2018C-PPh3Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexGeometry optimizationPBE--729.09563407; eV
thumbnail.jpeg27-Mar-2018PPh3Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationPBE--222.65440578; eV
thumbnail.jpeg6-Mar-2018Au_h-rol1_din2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complexGeometry optimizationPBE--1994.59158603; eV
thumbnail.jpeg6-Mar-2018Au_h-rol3Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complexGeometry optimizationPBE--1982.47562937; eV
thumbnail.jpeg6-Mar-2018Au_keto2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complexGeometry optimizationPBE--1975.11975632; eV
Results 81-90 of 1546 (Search time: 0.002 seconds).