1. A hydrogen rearrangement of formamidine and the solvent effects thereupon

   • K. Yamashita
   • M. Kaminoyama
   • K. Fukui

   Original Investigations Pages: 303 - 312

2. An improved LCAO interpolation scheme for energy band structures. Application to four compounds (ScN, ScP, TiN, ZrN) crystallizing in the sodium chloride structure

   • Michael Dorrer
   • Renate Eibler
   • Adolf Neckel

   Original Investigations Pages: 313 - 325

3. The effect of solvent on the internal rotation of formamide: A CNDO/2-solvaton method study

   • Anthony J. Duben
   • Stanislav Miertus

   Original Investigations Pages: 327 - 337

4. A method for molecular correlation energy calculations. Application to the determination of dissociation energies of diatomic and polyatomic molecules

   • Jacques Lievin
   • Jacques Breulet
   • Georges Verhaegen

   Original Investigations Pages: 339 - 353

5. Conformation analysis of formic acid. Extended basis set SCF and CEPA calculations

   • Constantin Zirz
   • Reinhart Ahlrichs

   Original Investigations Pages: 355 - 361

6. Vibrational excitation of molecules in a lattice due to shock induced molecular deformation

   • Frank J. Owens

   Original Investigations Pages: 363 - 368

7. Hartree-fock calculations for excited rydberg states

   • Martin Jungen

   Original Investigations Pages: 369 - 377

8. The structure of the active oxygen complex of catalase: Model calculations

   • Alain Strich
   • Alain Veillard

   Original Investigations Pages: 379 - 383