Accuracy

barium, atom   6341 Barium, atom

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
  6331 Cesium iodide, dimerI2Cs2
  6332 Cesium iodide, dimer (Geo)I2Cs2
  6333 Cs(I)O6I2 (XIDBUH) (Geo)C24H48O12I2Cs2
  6334 CsO6I2 (NELMEW) (Geo)C24H48O12I2Cs2
  6335 CsO6I2 (NELMEW)C24H48O12I2Cs2
  6336 Cs2I3 anionI3Cs2
  6337 Cs(I)O3 (QQQAWS01) (Geo)C16H36O4Cs4
  6338 Cs(I)O3 (QQQAWS01)C16H36O4Cs4
  6339 Barium, dicationBa
  6340 Barium, cationBa
  6341 Barium, atom Ba
  6342 Ba(II)N6(2+) (BINDAD10) (Geo)C8H32N8Ba
  6343 Ba(II)N8(2+) (SARNAA) (Geo)C8H32N8Ba
  6344 Barium oxide (Geo)OBa
  6345 Barium oxideOBa
  6346 Ba(II)O4N4 (ZUTGAW) (Geo)C34H70N4O4Ba
  6347 Ba(II)O8(2+) (KEFFEG) (Geo)C12H28O8Ba
  6348 Barium EDTA WARNINGC10H12N2O8Ba
  6349 Ba(II)O10(2+) (PXCDBA) (Geo)C20H40O10Ba
  6350 Ba(II)O11 (JAWZOW) (Geo)C12H26N2O13Ba
  6351 Barium monofluoride (Geo)FBa


ΔHf: 42.5 kcal/mol,     REF: "CRC Handbook of Chemistry and Physics," 60th Edition, R. C. Weast, (Ed.), CRC Press, Boca Raton, FL, 1980.
I.P.: 5.0 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 MECI OPEN(2,4) PM7
Barium, atom
 H=42.5 HR=CRC I=5.0 IR=LLNBS82 HWT=3
 Ba     0.00000000 +0   0.00000000 +0   0.00000000 +0