Research ::

The Robb Group

Our work involves development of the metholodgy of quantum chemistry and computational studies of photochemical reactivity.

Method development work involves the development of electronic structure methods and ab intio molecular dynamics. We are a developer of the Gaussian program for electronic structure computations.

Applications to photochemical reactivity are focused on problems involving at least two potential surfaces, known as non-adiabatic chemistry, including photochemistry and electron transfer. This work has been directed at many important areas of experimental development. Some of this work has prompted industrial sponsorship in the area of photostability problems. Our most recent study involves biological chromophores.

• A Selection of General Papers and Reviews

Below is a selection of recent research highlights:

• Dihydroazulene/Vinylheptafulvene Photochromism

• The extended nature and curvature of the conical intersection seam

• Non-adiabatic dynamics and energy transfer

• Photochemistry and the Extended Seam

• Electron Transfer

• Biological Chromophores

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