Accuracy

teh-alh2r   5760 TeH-AlH2, complex (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  5750 Pentafluoro(isocyanato)tellurium (Geo)CNOF5Te
  5751 Tellurium hexafluoride (Geo)F6Te
  5752 Te(VI)F6O(-) (KUPBAY) (Geo)CH3OF6Te
  5753 Te(VI)F6O(-) (KUPBAY) WARNINGCH3OF6Te
  5754 Te(VI)F7(-) (ROLSOA) (Geo)F7Te
  5755 Te(VI)F7(-) (ROLSOA)F7Te
  5756 Te(IV)C2F2 (VEJWUC) (Geo)C2F8Te
  5757 Te(IV)C2F2 (VEJWUC)C2F8Te
  5758 Al-Te, complex (Geo)AlTe
  5759 Aluminum tellurideAlTe
  5760 TeH-AlH2, complex (Geo) H3AlTe
  5761 TeF2.PF3 (Geo)F5PTe
  5762 TeF3.PF3(+) (Geo)F6PTe
  5763 Me-Te-S-Me (Geo)C2H6STe
  5764 Me-Te-S-MeC2H6STe
  5765 -Te-S-(CH2)3-C3H6STe
  5766 -Te-S-(CH2)3- (Geo)C3H6STe
  5767 TeS2S2Te
  5768 TeS2 (Geo)S2Te
  5769 Te(SH)2H2S2Te
  5770 Te(SH)2 (Geo)H2S2Te


REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PM7
TeH-AlH2, complex
 <Al-Te> GR=PW91D
 Te     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
 Al     2.55354900 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.68982575 +1  108.1426699 +1    0.0000000 +0     1     2     0
  H     1.79784922 +1  165.3319351 +1    0.0141321 +1     2     1     3
  H     1.79485484 +1  167.6125982 +1  179.9995326 +1     2     1     4