Accuracy

zirconium oxide   4652 Zirconium oxide

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

    

    #  Species Formula
  4642 ZrC12 (JANDIL10) (Geo)C14H16Zr
  4643 ZrC12 (JANDIL10)C14H16Zr
  4644 Zirconium tetra(neopentyl)C20H44Zr
  4645 Bicyclopentadienyl biphenyl zirconiumC22H20Zr
  4646 Tetrabenzyl zirconiumC28H28Zr
  4647 Zirconium nitrideNZr
  4648 Zirconium tetra(dimethylamine)C8H24N4Zr
  4649 Zirconium tetra(diethylamine)C16H40N4Zr
  4650 Zr(II)(NH3)6H18N6Zr
  4651 Zr(II)(NH3)6 (Geo)H18N6Zr
  4652 Zirconium oxide OZr
  4653 Zirconium dioxideO2Zr
  4654 Zirconium tetraisopropoxideC12H28O4Zr
  4655 Zr(II)(H2O)6H12O6Zr
  4656 Zr(II)(H2O)6 (Geo)H12O6Zr
  4657 Zirconium fluorideFZr
  4658 Zirconium(I) fluorideFZr
  4659 Zirconium(I) fluoride (Geo)FZr
  4660 Zirconium difluorideF2Zr
  4661 Zr(IV)(Cp)2F2 (FDCPZR) (Geo)C10H10F2Zr
  4662 Zr(IV)(Cp)2F2 (FDCPZR)C10H10F2Zr


ΔHf: 14.0 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
Zirconium oxide
 H=14 HR=NIST
  O     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Zr     1.76294803 +1    0.0000000 +0    0.0000000 +0     1     0     0