PM7 Accuracy

me2po4(-)r   1999 Dimethyl phosphate anion (Geo)

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    #  Species Formula
  1989 Di-isopropyl ethylphosphonateC8H19O3P
  1990 Tri-isopropyl phosphiteC9H21O3P
  1991 Methyl phosphate anionCH4O4P
  1992 Methyl phosphateCH5O4P
  1993 Ethylene phosphate anion (Geo)C2H4O4P
  1994 Ethylene phosphate anionC2H4O4P
  1995 (C2H4)PO4HC2H5O4P
  1996 Ethylene phosphateC2H5O4P
  1997 Dimethyl phosphate anion (Geo)C2H6O4P
  1998 Dimethyl phosphate anionC2H6O4P
  1999 Dimethyl phosphate anion (Geo) C2H6O4P
  2000 Dimethyl hydrogen phosphateC2H7O4P
  2001 Dimethyl hydrogen phosphate (Geo)C2H7O4P
  2002 Methyl ethyl phosphate anionC3H8O4P
  2003 Trimethyl phosphate (Geo)C3H9O4P
  2004 Trimethyl phosphateC3H9O4P
  2005 Triethyl phosphateC6H15O4P
  2006 Li(I)O4P (CEJQAJ) (Geo)H22LiC8O4P
  2007 Tri-n-butyl phosphateC12H27O4P
  2008 Triphenyl phosphateC18H15O4P
  2009 PO(OCN)3C3N3O4P


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.