Abstract
The experimental charge density of L-alanine has been derived from single-crystal x-ray diffraction data collected at 23 K and interpreted with a multipole (pseudoatom) formalism. The topological properties of the experimental density are compared with those obtained from ab-initio computations of the alanine monomer at the geometry of the molecule in the crystal.
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© 1991 Plenum Press, New York
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Bianchi, R., Destro, R., Gatti, C., Merati, F. (1991). A Low-Temperature (23 K) Study of L-alanine: Topological Properties of Experimental and Theoretical Charge Distributions. 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_16
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DOI: https://doi.org/10.1007/978-1-4615-3700-7_16
Publisher Name: Springer, Boston, MA
Print ISBN: 978-0-306-43880-6
Online ISBN: 978-1-4615-3700-7
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