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3. Molecular Dynamics Simulation of Silicate Glasses

4. The SIO Bond and Electron Density Distributions

5. Molecular Dynamics Simulation of Silica with a First-principles Interatomic Potential

6. Ab-initio Study of the Intramolecular Hydrogen Shift in Nitromethane and its Acid-dissociated Anion

7. C3H2: A Puzzling Interstellar Small Molecule

8. Advances in Electron-gas Potential Models: Applications to Some Candidate Lower Mantle Minerals

9. Quantum-mechanical and Classical Simulations of Mg-Ca Carbonates

10. The Nature of Silicon-oxygen Bonds in Silica Polymorphs

11. Calculation of Mineral Properties with the Electron Gas Model

12. High Pressure Studies of Mantle Minerals by Ab initio Variable Cell Shape Molecular Dynamics

13. The Structural Properties of Silica Using Classical and Quantum Interatomic Forces

14. Application of the Partial Charge Model to the Aqueous Chemistry of Silica and Silicates

15. From Cluster to Infinite Solid: a Quantum Study of the Electronic Properties of MoO3

16. Ab initio Calculations on Muonium Adducts of Fullerenes

17. Magnesium Photoionization: a K-matrix Calculation with GTO Bases

18. Investigation of Photochemical Paths by a Combined Theoretical and Experimental Approach

19. Theoretical Treatment of State-selective Charge Transfer Processes. N5++He as a Case Study

20. An ab initio Study of the Magnetic Properties of the Isoelectronic Series BeH−, BH, CH+ and MgH−, AlH, SiH+

21. An Ab initio Study of the Lowest 1,3Σ+ States of BH. Quasi Diabatic Curves and Vibronic Couplings

22. Coupled Hartree-Fock Approach to Electric Hyperpolarizability Tensors in Benzene

23. Ab-initio Calculations of Polarizabilities in Molecules: Some Proposals to this Challenging Problem

24. CI Calculations of Miscellaneous Spectroscopic Observables for the PN X1Σ, A1Π and 1Δ States

25. Vibrational Modulation Effects on EPR Spectra

26. Second Order Static Hyperpolarizabilities of Insaturated Polymers

27. Quantum Chemistry in Front of Symmetry-breakings

28. Quasicrystals and Momentum Space

29. Theory of Orbital Optimisation in SCF and MCSCF Calculations

30. Molecular Orbital Electronegativity as Electron Chemical Potential in Semiempirical SCF Schemes

31. A Coupled MCSCF-perturbation Treatment for Electronic Spectra

32. Convergence of Expansions in a Gaussian Basis

33. How Much Correlation Can We Expect to Account for in Density Functional Calculations ? Case Studies of Electrostatic Properties of Small Molecules

34. Applications of Nested Summation Symbols to Quantum Chemistry: Formalism and Programming Techniques

35. Reduced Density Matrix versus Wave Function: Recent Developments

36. FSGO Hartree-Fock Instabilities of Hydrogen in External Electric Fields

37. Quantum Chemistry Computations in Momentum Space

38. An Application of the Half-projected Hartree-Fock Model to the Direct Determination of the Lowest Singlet and Triplet Excited States of Molecular Systems

39. Core-hole States and the Koopmans Theorem

40. Core-valence Separation in the Study of Atomic Clusters

41. Electronic Charge Density of Quantum Systems in the Presence of an Electric Field: a Search for Alternative Approaches

42. Quantum Chemistry: The New Frontiers

43. The Real Generators of the Unitary Group

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