de la Lande's group webpage

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  • Welcome
  • Research
    • Electron transfers in biology
    • Radiation Chemistry
    • Hemes and chlorophylls
    • Methodological developements
  • Team
  • Publications
  • Team Access
  • Courses

Research

Our work is organized along several lines, combining applications with dedicated methodological developments, mainly in density functional theory.

Chemistry under ionizing radiation
Electron transfer in biological media
Photo-physics of hemes and chlorophylls.

Methodological developments in DFT

  • Computational Study of Heme b595 to Heme d Electron Transfer in E. coli Cytochrome bd-I Oxidase
  • NOX transmembrane electron transfer is governed by a subtly balanced, self-adjusting charge distribution
  • Avian cryptochrome 4 binds superoxide
  • Chlorophyll and pheophytin protonated and deprotonated ions: Observation and theory
  • Use of Gaussian-Type Functions for Describing Fast Ion-Matter Irradiation with Time-Dependent Density Functional Theory
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