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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchrhh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-568.896718258; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilclircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1595.36401653; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilclconh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1119.47642289; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilcltame4piramBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-907.920083517; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchcunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-443.621595313; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchpdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-891.594757575; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes chch2znch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-345.049713969; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilcloso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1007.31942519; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes chch2mno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-407.946047864; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes chch2ircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-982.098966083; Eh
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