Search        

Current filters:
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 xefecl3bai_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g*; sdd-1520.19212214; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xefecl3-bai_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g*; sdd-1520.33857139; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes tiofenofecl2sextup_newfix2freqBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g*; sdd-1597.13768679; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes xecrh2o5trip_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g*; sdd-484.182284328; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes tiofenofecl3-bai_newfix3freqBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g*; sdd-2057.81825186; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes ofenofecl2sextup_newBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g*; sdd-1274.15900549; Eh
thumbnail.jpeg9-Nov-2018/vacuum/metal_frag fecl2b3lyp_sextetBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g*; sdd-1044.05161837; Eh
thumbnail.jpeg9-Nov-2018/vacuum/metal_frag fecl3-b3lyp_highBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g*; sdd-1504.80679376; Eh
thumbnail.jpeg9-Nov-2018/vacuum/metal_frag fecl3b3lyp_highBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g*; sdd-1504.64491442; Eh
thumbnail.jpeg3-Oct-2019dmf_pdpph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G(D,P) SDD GEN-2200.67606134; Eh
Results 1-10 of 82 (Search time: 0.001 seconds).