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Showing results 193695 to 193714 of 194036 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required22-Feb-2018Pt_2HHProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---680.04879647; eV
Login required22-Feb-2018Pt_3CProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---680.40086667; eV
Login required22-Feb-2018Pt_3HProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---680.62968318; eV
Login required22-Feb-2018Pt_3HHProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---680.66827222; eV
Login required22-Feb-2018Pt_4CProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---681.95766016; eV
Login required22-Feb-2018Pt_4HProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---681.88679753; eV
Login required22-Feb-2018Pt_TS-1to2CProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---678.75586004; eV
Login required22-Feb-2018Pt_TS-1to2HProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---679.28997639; eV
Login required22-Feb-2018Pt_TS-2Cto3CProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---679.25249508; eV
Login required22-Feb-2018Pt_TS-2HHto3HHProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---679.45638096; eV
Login required22-Feb-2018Pt_TS-2Hto2HHProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---678.99311277; eV
Login required22-Feb-2018Pt_TS-2Hto3HProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---679.59852384; eV
Login required22-Feb-2018Pt_TS-3Cto4CProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---680.17127030; eV
Login required22-Feb-2018Pt_TS-3Hto3HHProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---680.18534472; eV
Login required22-Feb-2018Pt_TS-3Hto4HProject, POROUSforAPPvasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complexGeometry optimization---680.29220077; eV
thumbnail.jpeg1-Nov-2019PtW6O24Lang, ZhonglingGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31G(D) LANL2DZ GEN-2332.59459446; Eh
thumbnail.jpeg7-Oct-2019RbF(001)_KNbO3(001)Amaya Suárez, Javiervasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexSingle pointDFT--85.31615197; eV
thumbnail.jpeg7-Oct-2019RbF(110)_KNbO3(001)Amaya Suárez, Javiervasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complexSingle pointDFT--205.10876665; eV
Login required3-Aug-2018rev_Pcatdos Passos Gomes, GabrielGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRM062X--719.226003329; Eh
Login required3-Aug-2018rev_TS_guados Passos Gomes, GabrielGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUM062X--608.119464565; Eh