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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Mar-2018C4Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexFrequenciesPBE--1111.24814808; eV
thumbnail.jpeg24-Jul-2020H2Mo6O20Petrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg24-Jul-2020Mo7O24Petrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg26-Mar-2018C3Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexFrequenciesPBE--1110.84680538; eV
thumbnail.jpeg24-Jul-2020HMo8O26Petrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg24-Jul-2020H5O2Petrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg24-Jul-2020Mo_2OH_2H2O_waterclusterPetrus, EnricADF; 2019Single pointPBETZP-
thumbnail.jpeg24-Jul-2020Mo_2OH_2H2OPetrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg24-Jul-2020HMoO4Petrus, EnricADF; 2019Geometry optimizationPBETZP-
thumbnail.jpeg24-Jul-2020Mo4O13Petrus, EnricADF; 2019Geometry optimizationPBETZP-
Results 21-30 of 1309 (Search time: 0.136 seconds).