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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/vacuum/metal_frag fecl2b3lyp_sextetBesora, MariaGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+g*; SDD-1044.05161837; Eh
thumbnail.jpeg/vacuum/metal_frag fecl3-b3lyp_highBesora, MariaGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+g*; SDD-1504.80679376; Eh
thumbnail.jpeg/vacuum/metal_frag fecl3b3lyp_highBesora, MariaGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+g*; SDD-1504.64491442; Eh
thumbnail.jpeg/vacuum/metal_frag PdHPH32b3lyp_new2Besora, MariaGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+g*; SDD-814.612353256; Eh
thumbnail.jpeg/vacuum/metal_frag tame4_frompiram2Besora, MariaGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+g*; SDD-216.353561612; Eh
thumbnail.jpeg/vacuum/metal_frag nipf33b3lyp_noNeBesora, MariaGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+g*; SDD-2093.97864679; Eh
thumbnail.jpeg/vacuum/metal_frag snme3b3lyp_noNeBesora, MariaGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+g*; SDD-122.858738143; Eh
thumbnail.jpeg/vacuum/metal_frag conh35bb3lyp_singletBesora, MariaGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+g*; SDD-427.628721314; Eh
thumbnail.jpeg/vacuum/metal_frag FeCO4b3lyp_test_singletBesora, MariaGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+g*; SDD-577.280707414; Eh
thumbnail.jpeg/vacuum/complexes pcl3kBesora, MariaGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+g*; SDD-1750.15031945; Eh
thumbnail.jpeg/vacuum/complexes tiofenoincl2_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+g*; SDD-1475.13126971; Eh
thumbnail.jpeg/vacuum/complexes tiofenozncl3_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+g*; SDD-2161.02219881; Eh
thumbnail.jpeg/vacuum/complexes tiofenozrome3_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+g*; SDD-945.453201041; Eh
thumbnail.jpeg/vacuum/complexes h2szncl3_newfix2Besora, MariaGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+g*; SDD-2007.40013869; Eh
thumbnail.jpeg/vacuum/complexes h2sZrCl5_newBesora, MariaGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+g*; SDD-2747.91336100; Eh
thumbnail.jpeg/vacuum/complexes h2ZrCl5_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+g*; SDD-2349.68970507; Eh
thumbnail.jpeg/vacuum/complexes heZrCl5_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+g*; SDD-2351.40577973; Eh
thumbnail.jpeg/vacuum/complexes ofenofecl2sextup_newBesora, MariaGaussian; 09; EM64L-G09RevD.01UB3LYP6-31+g*; SDD-1274.15900549; Eh
thumbnail.jpeg/vacuum/complexes orhh2o5_new2_fix2Besora, MariaGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+g*; SDD-567.694632686; Eh
thumbnail.jpeg/vacuum/complexes oZrCl5_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+g*; SDD-2423.54781808; Eh
thumbnail.jpeg/vacuum/complexes pf3zncl3_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+g*; SDD-2249.00332747; Eh
thumbnail.jpeg/vacuum/complexes sih3-k_newBesora, MariaGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+g*; SDD-319.603266411; Eh
thumbnail.jpeg/vacuum/complexes sih3-rhh2o5_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+g*; SDD-783.471874829; Eh
thumbnail.jpeg/vacuum/complexes sime3rhh2o5_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+g*; SDD-901.485965482; Eh
thumbnail.jpeg/vacuum/complexes sZrCl5_newfixBesora, MariaGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+g*; SDD-2746.52717684; Eh
Results 1-25 of 45 (Search time: 0.246 seconds).