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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Mar-2018TS-A2Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexFrequenciesPBE--631.79351574; eV
thumbnail.jpeg26-Mar-2018C5Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexFrequenciesPBE--1111.80856128; eV
thumbnail.jpeg26-Mar-2018A3Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexFrequenciesPBE--633.56368357; eV
thumbnail.jpeg27-Mar-2018PPh3Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationPBE--222.65440578; eV
thumbnail.jpeg17-May-2018D1Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexGeometry optimizationPBE--1086.25457171; eV
thumbnail.jpeg17-May-2018DOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexGeometry optimizationPBE--1087.10750893; eV
thumbnail.jpeg18-May-2018C4-noCOOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexFrequenciesPBE--1094.46817352; eV
thumbnail.jpeg17-May-2018TS-C3Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexFrequenciesPBE--1109.65516875; eV
thumbnail.jpeg27-Mar-2018C-PPh3Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexGeometry optimizationPBE--729.09563407; eV
thumbnail.jpeg17-May-2018E1Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexGeometry optimizationPBE--1086.25457171; eV
Results 51-60 of 1159 (Search time: 0.001 seconds).