1V.B.l.f QUANTUM CHEMICAL INVESTIGATIONS QUANTUM CHEMICAL INVESTIGATIONS OF HEME PROTEINS AND FERREDOXINS

نویسندگان

  • Gilda Loew
  • David Steinberg
  • Michael Chadwick
  • David Lo
  • Robert Kirchner
چکیده

SUMEX is used for the calculation of various one-electron electromagnetic properties of iron containing compounds. The programs were formulated and written by David Steinberg, Michael Chadwick, and David Lo. David Lo was responsible for converting the programs for interactive use on the PDP system. Slight improvements were made by Robert Kirchner, and Sheldon Aronowitz is currently expanding the formulation to include additional spin and oxidation states of the iron atom.

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تاریخ انتشار 2001