Abstract
The role of single-crystal x-ray diffraction in structural studies is well recognized. Much of our understanding of the details of molecular structure, structure-activity relationships, and even chemical bonding has been drawn from the many structures which have been determined by x-ray diffraction. Parameterization of molecular mechanics models is also largely dependent on x-ray structural data.
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Stevens, E.D., Klein, C.L. (1991). Charge Density Studies of Drug Molecules. In: Jeffrey, G.A., Piniella, J.F. (eds) The Application of Charge Density Research to Chemistry and Drug Design. NATO ASI Series, vol 250. Springer, Boston, MA. https://doi.org/10.1007/978-1-4615-3700-7_13
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DOI: https://doi.org/10.1007/978-1-4615-3700-7_13
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