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Bridging Structure and Real-Space Topology: Understanding Complex Molecules and Solid-State Materials

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Book cover Recent Advances in Complex Functional Materials

Abstract

Structural elucidation through experiments (e.g., X-ray diffraction and Rietveld refinements) and quantum chemical computations has seen tremendous progress in the last few decades. In particular, the characterization of crystalline substances at the level of electron density has become possible owing to new X-ray diffraction instrumentation and an increasing number of tools suitable for the description and treatment of the tiny details at the electron density level. However, despite the contemporary high standards for the determination of geometrical parameters, questions about chemical bonding are still highly controversial. The “classical” concepts of bonding analysis and the corresponding chemical reactivity have been seriously challenged in cases of multicenter-bonded systems, or materials subjected to certain special conditions, such as high pressures or irradiation by electron beams.

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Authors and Affiliations

  1. Department of Physical and Analytical Chemistry, Universitat Jaume I, Campus Riu Sec, E-12071, Castellón, Spain

    J. Andrés, V. S. Safont, L. Gracia & R. Llusar

  2. Department of Physical Chemistry, Universitat de Valéncia, 46100, Burjassot, Spain

    L. Gracia

  3. CDMF, INCTMN, Instituto de Química, Universidade Estadual Paulista, Araraquara, 14801-907, Brazil

    E. Longo

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  1. J. Andrés
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  2. V. S. Safont
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  3. L. Gracia
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  4. R. Llusar
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  5. E. Longo
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Correspondence to J. Andrés .

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  1. Chemistry Department, Universidade Estadual Paulista, Araraquara, São Paulo, Brazil

    Elson Longo

  2. Chemistry Department, Universidade Tecnológica Federal do Paraná, Londrina, Paraná, Brazil

    Felipe de Almeida La Porta

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Andrés, J., Safont, V.S., Gracia, L., Llusar, R., Longo, E. (2017). Bridging Structure and Real-Space Topology: Understanding Complex Molecules and Solid-State Materials. In: Longo, E., La Porta, F. (eds) Recent Advances in Complex Functional Materials. Springer, Cham. https://doi.org/10.1007/978-3-319-53898-3_17

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