Intermolecular electron transfer and exchange integrals in photosystem I

Alexander Petrenko, Kevin Redding

Research output: Contribution to journalArticlepeer-review

7 Scopus citations


On the basis of ab initio molecular orbital calculations of individual cofactor molecules, we have obtained estimations of intermolecular electron transfer and spin-exchange integrals between cofactor molecules in photosystem I. These calculations are based on the spatial arrangement of the cofactor molecules in photosystem I of Thermosynechococcus elongatus. The results of these calculations are used in discussion of the influence of the protein environment upon interactions between cofactor molecules in the early stages of electron transfer and directionality of photo-induced electron transfer in photosystem I.

Original languageEnglish (US)
Pages (from-to)98-103
Number of pages6
JournalChemical Physics Letters
Issue number1-3
StatePublished - Dec 11 2004
Externally publishedYes

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


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