Publications [#231902] of David N. Beratan

Journal Articles
  1. Beratan, DN, Strategies for the 'molecular engineering' of chemical, electronic, and optical devices, Proceedings of the Intersociety Energy Conversion Engineering Conference, vol. 3 (1990), pp. 519-520 .

    Abstract:
    Theoretical chemistry is assisting in the design of new materials for biocatalysis, ultrasmall-scale electronic devices, and nonlinear optics. The author discusses of the kinds of molecular design and property prediction problems which have recently been attacked using these techniques. The role of theoretical chemistry for developing the structure-property relationships in families of small molecules with novel optical properties is discussed.