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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Jul-2017Int12hde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1137.99217859; Eh
thumbnail.jpeg21-Jul-2017Int9hde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1138.05035270; Eh
thumbnail.jpeg21-Jul-201712ade Orbe, M. ElenaGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRM066-31G*-384.247585773; Eh
thumbnail.jpeg11-Mar-2021DCM_INTDiazoBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G(D,P) SDD GEN-2421.82507113; Eh
Login required21-Jun-2019/Pinacolato CsBCO3Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-695.309289275; Eh
thumbnail.jpeg21-Jul-2017Int3fde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; LANL2DZ; SDD-1266.04505523; Eh
thumbnail.jpeg21-Jul-2017Int4fde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; LANL2DZ; SDD-1266.04089038; Eh
Login required21-Jun-2019/Pinacolato After_borylationMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-2142.07325910; Eh
Login required21-Jun-2019/Pinacolato CatNi2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-2588.73128690; Eh
Login required21-Jun-2019/Pinacolato CsClMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-480.225823775; Eh
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