Browsing by Author de Orbe, M. Elena

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Jul-201712ade Orbe, M. ElenaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRM066-31G*-384.247585773; Eh
thumbnail.jpeg21-Jul-20171ade Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*-308.146849348; Eh
thumbnail.jpeg21-Jul-20171ede Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; LANL2DZ-320.694692030; Eh
thumbnail.jpeg21-Jul-20172ade Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*-348.677777233; Eh
thumbnail.jpeg21-Jul-20172kde Orbe, M. ElenaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRM066-31G*-157.086411748; Eh
thumbnail.jpeg21-Jul-2017AuPMe3de Orbe, M. ElenaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRM066-31G*; SDD-596.603072418; Eh
thumbnail.jpeg21-Jul-2017Int10ade Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1253.53463823; Eh
thumbnail.jpeg21-Jul-2017Int10bde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1253.53477577; Eh
thumbnail.jpeg21-Jul-2017Int10cde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; LANL2DZ; SDD-1266.07883885; Eh
thumbnail.jpeg21-Jul-2017Int10dde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; LANL2DZ; SDD-1266.07515528; Eh
thumbnail.jpeg21-Jul-2017Int10ede Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; LANL2DZ; SDD-1266.07771406; Eh
thumbnail.jpeg21-Jul-2017Int10hde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1138.04485445; Eh
thumbnail.jpeg21-Jul-2017Int11de Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1253.49220973; Eh
thumbnail.jpeg21-Jul-2017Int12hde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1137.99217859; Eh
thumbnail.jpeg21-Jul-2017Int13hde Orbe, M. ElenaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRM066-31G*; SDD-1137.99110548; Eh
thumbnail.jpeg21-Jul-2017Int1ade Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-945.326745231; Eh
thumbnail.jpeg21-Jul-2017Int1bde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-753.736771461; Eh
thumbnail.jpeg21-Jul-2017Int2ade Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-904.790361246; Eh
thumbnail.jpeg21-Jul-2017Int2cde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; LANL2DZ; SDD-917.337814627; Eh
thumbnail.jpeg21-Jul-2017Int2gde Orbe, M. ElenaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRM066-31G*; SDD-980.882816599; Eh