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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes ofenocrh2o5tripBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-698.696137026; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nme3yh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-594.167765018; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nme3incl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1096.65298818; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh2snme3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-179.088800723; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes scnptph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-953.717826825; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nme3fecl3baiBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1679.20554251; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes imidazolptph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-688.821546941; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh2gacl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1438.90052867; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nme3znnh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-457.606932084; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh2niph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-570.077316503; Eh
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