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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-nhckBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-254.3736091; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes chch2feco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-655.374032821; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilclmno3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1021.20679876; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchfeco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-654.139638385; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilclznch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-958.311322831; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1515.88294719; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes chch2ptf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-696.682258448; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilclauph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1170.20889900; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilclnbnh24Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-972.172198228; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes chch2nbnh24Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-358.908217376; Eh
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