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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-May-2018DPEPhosMePh2Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationPBE--340.14318964; eV
thumbnail.jpeg17-May-2018EOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexGeometry optimizationPBE--1087.10750893; eV
thumbnail.jpeg17-May-2018C9Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexFrequenciesPBE--1110.76640903; eV
thumbnail.jpeg17-May-2018TS-C10Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexFrequenciesPBE--1053.99903907; eV
thumbnail.jpeg17-May-2018TS-C4Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexFrequenciesPBE--1110.29598550; eV
thumbnail.jpeg17-May-2018C11Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexFrequenciesPBE--1055.38393078; eV
thumbnail.jpeg17-May-2018C10Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexFrequenciesPBE--1054.58921960; eV
thumbnail.jpeg18-Jun-2018H2O-MoO3-xRellán, Marcos; Rellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--1212.91939578; eV
thumbnail.jpeg22-Jun-2018/molecules acroleinRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--47.32267214; eV
thumbnail.jpeg22-Jun-2018/molecules glycerolRellán, Marcosvasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-onlyGeometry optimizationPBE--76.69116119; eV
Results 61-70 of 1159 (Search time: 0.001 seconds).