After spending three years doing postdoctoral research at the University of Texas at Austin, Texas with Michael Dewar in the then emerging field of computational chemistry, he returned to Imperial College after being appointed a lecturer. He was one of the first to be appointed in the UK in the emerging subject of computational organic chemistry. he is EmeritusProfessor of Computational Chemistry. His research interests directed towards combining different types of chemical information tools for solving structural, mechanistic and stereochemical problems in organic, bioorganic, organometallic chemistry and catalysis, using techniques such as semiempiricalmolecular orbital methods, Nuclear Magnetic Resonance spectroscopy, X-ray crystallography and ab initio quantum theories. Aware of the complex semantic issues involved in converging different areas of chemistry to address modern multidisciplinary problems, he started investigating the use of the Internet as an information and integrating medium around 1987, focusing in 1994 on the World Wide Web as having the most potential. Peter Murray-Rust and he first introduced Chemical Markup Language in 1995 as a rich carrier of semantic chemical information and data; and they coined the term Datument as a portmanteau word to better express the evolution from the documents produced by traditional academic publishing methods to the Semantic Web ideals expressed by Tim Berners-Lee. His contributions to chemistry include exploration of Möbius aromaticity, highlighted by the theoretical discovery of relatively stable forms of cyclic conjugated molecules which exhibit two and higher half-twists in the topology rather than just the single twist associated with Mobius systems. He is responsible for unraveling the mechanistic origins of stereocontrol in a variety of catalyticpolymerisation reactions, including that of lactide to polylactide, a new generation of bio-sustainable polymer not dependent on oil. He is also known for the integration of chemistry with latest Internet technologies such as RSS and Podcasting, for the introduction of the Chemical MIME types in 1994 and for, the first electronic-only conferences in organic chemistry, which ran from 1995-1998.