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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilclaucl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2207.80334466; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhcoso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-541.857136332; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilclcucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-981.564094947; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilclgacl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-2074.19993938; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes chch2hgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-254.542126820; Eh
thumbnail.jpeg3-Oct-2019water_sp2_ts_pdph3_s_transBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-3274.17884105; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh3nipf33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2150.58018682; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhchgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-402.692375393; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhcincl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1148.39239174; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh3zncl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1664.58552067; Eh
Results 4521-4530 of 9919 (Search time: 0.007 seconds).