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Biogeochemical Applications of a Newly Developed
Carbocation Force Field
By Adrianus C. Van Duin, 1996
Delft University Press
Contents include: Introduction, DMM: A new approach to hydrocarbon force fields, A molecular mechanics force field for tertiary carbocations, Novel aspects of the diagenesis of delta^7 5 alpha-sterenes as revealed by a combined molecular mechanics calculations and laboratory simulations approach, The reconstruction of thermal histories of sedimentary basins through computer simulated isomerization of hopanoids, Three cases of related research.