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"Solved and Unsolved Problems of Structural Chemistry" introduces new methods and approaches for solving problems related to molecular structure. It includes numerous subjects such as aromaticity-one of the central themes of chemistry-and topics from bioinformatics such as graphical and numerical characterization of DNA, proteins, and proteomes. It also outlines the construction of novel tools using techniques from discrete mathematics, particularly graph theory, which allowed problems to be solved that many had considered unsolvable.The book discusses a number of important problems in chemistry that have not been fully understood or fully appreciated, such as the notion of aromaticity and conjugated circuits, the generalized Hückel 4n + 2 Rule, and the nature of quantitative structure-property-activity relationships (QSARs), which have resulted in only partially solved problems and approximated solutions that are inadequate. It also describes advantages of mathematical descriptors in QSAR, including their use in screening combinatorial libraries to search for structures with high similarity to the target compounds.

Molecular structure --- Molecular structure --- Structure moléculaire. --- Structure moléculaire

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Quantum chemistry. --- Matter --- Chimie quantique. --- Structure moléculaire --- Constitution.

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Ions --- Structure moléculaire --- Spectroscopie --- Congrès --- Congrès --- Congrès --- Ions --- Structure moléculaire --- Spectroscopie --- Congrès --- Congrès --- Congrès

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Atomic structure --- Structure atomique --- Crystals --- Cristaux --- Structure moléculaire. --- Molecular structure. --- Structure moléculaire.

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Molecular spectroscopy. --- Molecular structure. --- Structure moléculaire. --- Spectroscopie moléculaire. --- Structure moléculaire. --- Spectroscopie moléculaire.