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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ohcunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-442.6987931; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-nhcznch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-493.0684959; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-ohptf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-694.4954429; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilno2kBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-464.466271016; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-nhcfecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1270.3838274; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-nh3feco4axialBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-633.8790617; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-nh3ptf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-675.3067765; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilno2conh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-864.379466262; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-nhcconh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-653.9576622; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-nhcoso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-541.8451187; Eh
Results 11681-11690 of 12354 (Search time: 0.008 seconds).