Supplementary material to paper:

Tautomerization and dissociation of dimethyl phosphonate ions (CH3O)2P(H)=O.+: theory and experiment in concert

by

Lisa N. Heydorn, Yun Ling, Glenisson de Oliveira, Jan M.L. Martin*, Chava Lifshitz*, and Johan K. Terlouw*

Zeitschrift für Physikalische Chemie 215, 141-182 (2001) [invited paper for Jürgen Troe Festschrift]. [Read online]
Structures in XMol .xyz format for all species grouped by substituents on the phosphines. Level of theory is B3LYP/6-311G(2d,d,p) unless indicated otherwise.
The structures can be viewed with a variety of molecular viewers, including but not limited to CHIME (PC, Macintosh, SGI Irix), MOLDEN (PC, Unix), RasMol (PC, Macintosh, Unix), and XMol (Unix only).
To save structures to a file, use right mouse button (PC, Unix) or click and hold for popup menu (Macintosh).

In case of problems, Email comartin@wicc.weizmann.ac.il