Search        

Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes ncsaucl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-2007.59386248; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes isnme3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-134.596948470; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes cchgacl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1459.68724733; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nchptph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-556.011377370; Eh
thumbnail.jpeg3-Oct-2019water_sp2_ts_pdph3_s_cisBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-3274.16247428; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2ocuch3_2Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-313.702847605; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2ozrome3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-468.878320578; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2optph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-538.992188921; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes h2znnh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-284.127930258; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes hzncl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1608.50647509; Eh
Results 6651-6660 of 12842 (Search time: 0.006 seconds).