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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Mar-2018C-1PPhMe2Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimizationPBE--624.41896387; 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-2018TS-A8Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexFrequenciesPBE--632.55099545; eV
thumbnail.jpeg26-Mar-2018B2Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimizationPBE--711.44619555; 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-2018PMe3Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationPBE--65.98551405; eV
thumbnail.jpeg26-Mar-2018C-5x5-2P_(C)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexSingle pointPBE--982.80572888; eV
thumbnail.jpeg26-Mar-2018A9Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexFrequenciesPBE--634.24860607; eV
thumbnail.jpeg26-Mar-2018COOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationPBE--14.78090829; eV
thumbnail.jpeg26-Mar-2018TS-C3-8Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexFrequenciesPBE--1109.34816079; eV
Results 11-20 of 101 (Search time: 0.001 seconds).