External Individual Research Report



This section presents individual reports on external projects supported by the Time Allocation Committee on the VP2200 and VPP300 . The reports were prepared by the individual principal investigators in a standard format. In some cases several projects are combined into a single report. At the time of going to press reports had not been received for a small number of projects.

Robin D. Allan

Ab Initio Studies on the Tautomerism of Dioxo Pyridazines and their Anions as Novel Bio Isosteres

Lawrie Dunn

Structures of Biopolymers in the Pulp and Paper Industry

Jerzy A. Filar

Coupled Modelling and Uncertainty in Climate System Models

Peter Harrowell

The Role of Molecular Flexibility in Stabilizing Layered Liquid Crystal Phases

A. D. J. Haymet

Molecular Dynamics Simulations of Solutes in Liquid Water and at the Ice/Water Interface

Peter Holloway

A Numerical Investigation of Tidally Forced Internal Waves in the Ocean

M. W. Radny

Chemisorption and Etching on Silicon Surfaces

Martijn de Sterke

Self-written Waveguides in Bulk Photosensitive Materials

E. von Nagy-Felsobuki

Rovibrational Calculations of Bent Triatomic Molecules

Brian Yates

Theoretical Studies on the Mechanisms of Chemical Reactions