1. Theoretical study of reaction mechanisms for the ketonization of vinyl alcohol in gas phase and aqueous solution

   • Oscar N. Ventura
   • Agustí Lledós
   • Jacopo Tomasi

   OriginalPaper Pages: 175 - 195

2. A modification of Koopmans' theorem by imposition of the virial theorem in molecules

   • Rogério Custodio
   • Yuji Takahata

   OriginalPaper Pages: 197 - 205

3. On the non-additivity of the basis set superposition error and how to prevent its appearance

   • István Mayer

   OriginalPaper Pages: 207 - 210

4. CNDO-S²—a semiempirical SCF MO method for transition metal organometallics

   • Michael J. Filatov
   • Oleg V. Gritsenko
   • George M. Zhidomirov

   OriginalPaper Pages: 211 - 222

5. MNDO calculations of systems containing hydrogen bonds

   • Alexander A. Voityuk
   • Andrey A. Bliznyuk

   OriginalPaper Pages: 223 - 228

6. Isoelectronic changes in X-alpha theory using a Z-transition state approach

   • Venugopal K. Krishna Kumar
   • Kali D. Sen

   OriginalPaper Pages: 229 - 232