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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Mar-2018A1bOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimizationPBE--632.14541995; eV
thumbnail.jpeg26-Mar-2018A1aOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimizationPBE--632.17100266; eV
thumbnail.jpeg26-Mar-2018TS-A4Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexFrequenciesPBE--633.08074786; eV
thumbnail.jpeg26-Mar-2018alkene-terminalOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationPBE--65.34274619; eV
thumbnail.jpeg26-Mar-2018acetic-acidOrtuño, Manuelvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--46.80120279; eV
thumbnail.jpeg26-Mar-2018anhydrideOrtuño, Manuelvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimizationPBE--128.62467897; 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-2018C-6x6-1POrtuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimizationPBE--965.16731152; eV
thumbnail.jpeg26-Mar-2018TS-A2-8Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexFrequenciesPBE--632.55283333; eV
thumbnail.jpeg26-Mar-2018alkene-internalOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationPBE--65.48164895; eV
Results 21-30 of 226 (Search time: 0.001 seconds).