Browsing by Author de Orbe, M. Elena

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Jul-2017Int4jde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1214.20302088; Eh
thumbnail.jpeg21-Jul-2017Int5ade Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1253.49103771; Eh
thumbnail.jpeg21-Jul-2017Int5bde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1253.49375626; Eh
thumbnail.jpeg21-Jul-2017Int5cde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; LANL2DZ; SDD-1266.03989923; Eh
thumbnail.jpeg21-Jul-2017Int5dde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; LANL2DZ; SDD-1266.04066516; Eh
thumbnail.jpeg21-Jul-2017Int5ede Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; LANL2DZ; SDD-1266.03974604; Eh
thumbnail.jpeg21-Jul-2017Int5fde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; LANL2DZ; SDD-1266.03760266; Eh
thumbnail.jpeg21-Jul-2017Int5hde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1138.00490486; Eh
thumbnail.jpeg21-Jul-2017Int5ide Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1214.20938545; Eh
thumbnail.jpeg21-Jul-2017Int5jde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1214.21709232; Eh
thumbnail.jpeg21-Jul-2017Int5kde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1214.21740586; Eh
thumbnail.jpeg21-Jul-2017Int5Lde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1214.20944147; Eh
thumbnail.jpeg21-Jul-2017Int6ade Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1253.47232730; Eh
thumbnail.jpeg21-Jul-2017Int6bde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1253.47086391; Eh
thumbnail.jpeg21-Jul-2017Int6cde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; LANL2DZ; SDD-1266.02050277; Eh
thumbnail.jpeg21-Jul-2017Int6dde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; LANL2DZ; SDD-1266.02366165; Eh
thumbnail.jpeg21-Jul-2017Int6ede Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; LANL2DZ; SDD-1266.01979452; Eh
thumbnail.jpeg21-Jul-2017Int6hde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1137.98700502; Eh
thumbnail.jpeg21-Jul-2017Int7ade Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1253.52843621; Eh
thumbnail.jpeg21-Jul-2017Int7bde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1253.52848967; Eh