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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes fkBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-128.213816859; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1135.76746806; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilconh35Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-659.888991793; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilmosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1496.31667147; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilrush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1921.92051506; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes coptf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-732.060496547; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fcunh33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-466.758560159; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes corush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1803.52936395; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes coZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-2461.84261730; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes fenilpdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-702.791609107; Eh
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