化学结构

分子的化学结构（英語：chemical structure）是其原子及其化学键的空间排列。它的确定包括化学家指定分子几何形状，以及在可行和必要时指定目标分子或其他固体的电子结构。分子几何形状是指分子中原子的空间排列和将原子结合在一起的化学键，可以用结构式和分子模型表示；^[1]完整的电子结构描述包括指定其分子的分子轨道占据情况。^[2]^[3]结构测定可以应用于从非常简单的分子（例如，双原子氧或氮）到非常复杂的分子（例如，蛋白质或脱氧核糖核酸（DNA））的一系列目标。

参见

参考文献

^ Haaland, Arne. Molecules and Models: The Molecular Structures of Main Group Element Compounds. Oxford: Oxford University Press. 2008. ISBN 978-0-19-923535-3. OCLC 173809048.
^ Weinhold, Frank; Landis, Clark R. Valency and Bonding: A Natural Bond Orbital Donor-Acceptor Perspective. Cambridge, UK: Cambridge University Press. 2005. ISBN 0-521-83128-8. OCLC 59712377.
^ Gillespie, Ronald J.; Popelier, Paul L. A. Chemical Bonding and Molecular Geometry: From Lewis to Electron Densities. New York: Oxford University Press. 2001. ISBN 0-19-510495-1. OCLC 43552798.

延伸阅读

Gallagher, Warren. Lecture 7: Structure Determination by X-ray Crystallography. Chem 406: Biophysical Chemistry (PDF) (self-published course notes). Eau Claire, WI, USA: University of Wisconsin-Eau Claire, Department of Chemistry. 2006 [2014-07-02].
Ward, S. C.; Lightfoot, M. P.; Bruno, I. J.; Groom, C. R. The Cambridge Structural Database. Acta Crystallographica Section B. 2016-04-01, 72 (2): 171–179. Bibcode:2016AcCrB..72..171G. ISSN 2052-5206. PMC 4822653 . PMID 27048719. doi:10.1107/S2052520616003954  （英语）.

[1] Haaland, Arne. Molecules and Models: The Molecular Structures of Main Group Element Compounds. Oxford: Oxford University Press. 2008. ISBN 978-0-19-923535-3. OCLC 173809048.

[2] Weinhold, Frank; Landis, Clark R. Valency and Bonding: A Natural Bond Orbital Donor-Acceptor Perspective. Cambridge, UK: Cambridge University Press. 2005. ISBN 0-521-83128-8. OCLC 59712377.

[3] Gillespie, Ronald J.; Popelier, Paul L. A. Chemical Bonding and Molecular Geometry: From Lewis to Electron Densities. New York: Oxford University Press. 2001. ISBN 0-19-510495-1. OCLC 43552798.

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