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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Mar-2018C6Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexFrequenciesPBE--1046.24641148; eV
thumbnail.jpeg26-Mar-2018B3Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimizationPBE--708.98372881; eV
thumbnail.jpeg26-Mar-2018DPEPhosMeOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationPBE--235.64609602; eV
thumbnail.jpeg26-Mar-2018A7Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexFrequenciesPBE--633.66663040; eV
thumbnail.jpeg26-Mar-2018BOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimizationPBE--321.90496801; eV
thumbnail.jpeg26-Mar-2018TS-C3-8Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexFrequenciesPBE--1109.34816079; eV
thumbnail.jpeg26-Mar-2018TS-C4aOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexFrequenciesPBE--1109.38652263; eV
thumbnail.jpeg26-Mar-2018C4aOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexFrequenciesPBE--1111.10982284; eV
thumbnail.jpeg26-Mar-2018C8Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexFrequenciesPBE--1109.80249670; eV
thumbnail.jpeg26-Mar-2018C7Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexFrequenciesPBE--998.83325746; eV
Results 41-50 of 1159 (Search time: 0.001 seconds).