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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes ncsptph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-953.725591645; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nh3fecl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1561.26458332; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ncshgi2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-667.629217302; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchsnme3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-199.876646686; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nchsnme3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-216.332258231; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchptph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-539.379278335; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ncsaucnBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-719.836693378; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes icrh2o5tripleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-480.455940951; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchfecl3-baiBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1581.48563878; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nchincl2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1015.55255772; Eh
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