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Browsing by Author Project, POROUSforAPP

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Showing results 1 to 20 of 36  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required22-Feb-2018Pd_1Project, POROUSforAPPvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---625.82779272; eV
Login required22-Feb-2018Pd_2CProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---625.53399161; eV
Login required22-Feb-2018Pd_2HProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---626.29750648; eV
Login required22-Feb-2018Pd_2HHProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---625.86566283; eV
Login required22-Feb-2018Pd_3CProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---626.83425572; eV
Login required22-Feb-2018Pd_3HProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---626.65218998; eV
Login required22-Feb-2018Pd_3HHProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---626.41030346; eV
Login required22-Feb-2018Pd_4CProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---627.78130926; eV
Login required22-Feb-2018Pd_4HProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---627.51227416; eV
Login required22-Feb-2018Pd_TS-1to2CProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexImproved Dimer Method---624.77633261; eV
Login required22-Feb-2018Pd_TS-1to2HProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexImproved Dimer Method---625.23146634; eV
Login required22-Feb-2018Pd_TS-2Cto3CProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---625.31690834; eV
Login required22-Feb-2018Pd_TS-2HHto3HHProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---625.10792080; eV
Login required22-Feb-2018Pd_TS-2Hto2HHProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---625.05875484; eV
Login required22-Feb-2018Pd_TS-2Hto3HProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexImproved Dimer Method---625.67787695; eV
Login required22-Feb-2018Pd_TS-3Cto4CProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexImproved Dimer Method---626.20438050; eV
Login required22-Feb-2018Pd_TS-3Hto3HHProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complexGeometry optimization---625.78724891; eV
Login required22-Feb-2018Pd_TS-3Hto4HProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---626.34973524; eV
Login required22-Feb-2018Pt_1Project, POROUSforAPPvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---679.96857697; eV
Login required22-Feb-2018Pt_2CProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---679.62170095; eV
Showing results 1 to 20 of 36  next >