Accuracy

(ch3)2srr   4486 Dimethyl strontium (Geo)

(Previous)     (Back)     (Next)        

   

    #  Species Formula
  4476 Rubidium fluoride, dimer (Geo)F2Rb2
  4477 Rubidium fluoride, dimerF2Rb2
  4478 Rubidium chloride, dimer (Geo)Cl2Rb2
  4479 Rubidium chloride, dimerCl2Rb2
  4480 Rubidium bromide, dimer (Geo)Br2Rb2
  4481 Rubidium bromide, dimerBr2Rb2
  4482 Rb(I)O3 (SOGKUU) (Geo)C16H36O4Rb4
  4483 Strontium, dicationSr
  4484 Strontium, cationSr
  4485 Strontium, atomSr
  4486 Dimethyl strontium (Geo) C2H6Sr
  4487 Dimethyl strontiumC2H6Sr
  4488 Sr(II)(Cp)2N2 (TEYYEB) (Geo)C28H32N2Sr
  4489 Sr(II)(Cp)2N2 (TEYYEB)C28H32N2Sr
  4490 Sr(II)N4 (WAGCIR) (Geo)C22H42N4Sr
  4491 Sr(II)N4 (WAGCIR)C22H42N4Sr
  4492 Sr(II)N8(2+) (TAQNAA) (Geo)C8H32N8Sr
  4493 Sr(II)N8(2+) (TAQNAA)C8H32N8Sr
  4494 Sr(II)N9(2+) (TAPMOM) (Geo)C12H39N9Sr
  4495 Strontium oxide (Geo)OSr
  4496 Strontium oxideOSr


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
Dimethyl strontium
 <Sr-C> <><C-Sr-C> GR=PW91D
 Sr     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.52132100 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     2.38628118 +1  113.2729020 +1    0.0000000 +0     1     2     0
  H     1.05069877 +1  105.6592175 +1 -148.3391870 +1     2     1     3
  H     1.05251039 +1  100.7913783 +1  119.9949287 +1     2     1     4
  H     1.05171111 +1  103.4276985 +1  118.6485347 +1     2     1     5
  H     1.05709674 +1  103.5690931 +1  -58.2543746 +1     3     1     2
  H     1.05651315 +1  103.6354840 +1  118.1992649 +1     3     1     7
  H     1.05464398 +1  107.6866372 +1  120.9544094 +1     3     1     8