1. A note on a non-empirical molecular orbital study of some cytosine and thymine tautomers

   • John D. Goddard
   • Paul G. Mezey
   • Imre G. Csizmadia

   OriginalPaper Pages: 1 - 6

2. First and second-order properties of charge-localized and Frost-localized orbitals

   • A. Terry Amos
   • Raymond J. Crispin
   • Richard A. Smith

   OriginalPaper Pages: 7 - 16

3. An SCF-MO study of the electronic structure of the [LiNH₃] cation and related molecules

   • Alan Hinchliffe
   • J. Charles Dobson

   OriginalPaper Pages: 17 - 24

4. Atomic spherical orbitals

   • Gilles Klopman

   OriginalPaper Pages: 25 - 31

5. Ligand field distortion parameters

   • Bryan R. Hollebone
   • J. C. Donini

   OriginalPaper Pages: 33 - 49

6. Quantum chemical study of the geometries and stabilities of the two valence-tautomers of C₂H₂F⁺

   • Imre G. Csizmadia
   • Vittorio Lucchini
   • Giorgio Modena

   OriginalPaper Pages: 51 - 59

7. Molecular orbital calculations of the chemisorption and diffusion of oxygen and water on a graphite substrate

   • Michael R. Hayns

   OriginalPaper Pages: 61 - 74

8. The influence of vibronic interactions on the chiroptical spectra of dissymmetric pseudo tetragonal metal complexes

   • Frederick S. Richardson
   • Gary Hilmes
   • Jacqueline J. Jenkins

   OriginalPaper Pages: 75 - 91

9. The convergence properties of direct energy minimisation with respect to linear coefficients in the MC-LCAO-MO-SCF approach

   • B. T. Sutcliffe

   OriginalPaper Pages: 93 - 102

10. Calculations of the pseudopotential for the excess electron in water and methane

    • Shingo Ishimaru
    • Kenichi Fukui
    • Hiroshi Kato

    OriginalPaper Pages: 103 - 110