By N. Sukumar
The origins and value of electron density within the chemical, organic, and fabrics sciences
Electron density is likely one of the basic suggestions underlying sleek chemistry and one of many key determinants of molecular constitution and balance. it's also the elemental variable of density practical thought, which has made attainable, lately, the applying of the mathematical concept of quantum physics to chemical and organic systems.
With an equivalent emphasis on computational and philosophical questions, A subject of Density: Exploring the Electron Density thought within the Chemical, organic, and fabrics Sciences addresses the principles, research, and purposes of this pivotal chemical suggestion. the 1st a part of the publication offers a coherent and logically attached therapy of the theoretical foundations of the electron density proposal. dialogue comprises using percentages in statistical physics; the origins of quantum mechanics; the philosophical questions on the center of quantum concept, like quantum entanglement; and strategies for the experimental selection of electron density distributions.
The rest of the ebook bargains with functions of the electron density proposal within the chemical, organic, and fabrics sciences. individuals supply insights on how a deep figuring out of the origins of chemical reactivity may be gleaned from the thoughts of density sensible thought. additionally mentioned are the functions of electron density in molecular similarity research and electron density-derived molecular descriptors, comparable to electrostatic potentials and native ionization energies. This part concludes with a few functions of contemporary density useful thought to surfaces and interfaces.
An crucial reference for college kids in addition to quantum and computational chemists, actual chemists, and physicists, this ebook bargains an unprecedented examine the advance of the concept that of electron density from its inception to its position in density sensible thought, which resulted in the 1998 Nobel Prize in Chemistry.
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Extra info for A Matter of Density: Exploring the Electron Density Concept in the Chemical, Biological, and Materials Sciences
7. Einstein A. Ann Phys 1905;17(8):549–560. 8. Einstein A. Ann Phys 1905;17(10):891–921. 9. Einstein A. Ann Phys 1905;18(13):639–641. 10. Hertz H. Wied Ann Phys 1887;31:982–1000. 11. Wiedemann E, Ebert H. Wied Ann Phys 1888;33:241–264. 12. Hallwachs W. Wied Ann Phys 1888;33:301–312. 13. Stotetow AG. Comptes Rendus 1888;106:1149–1152, 1593–1595; 1889;108: 1241–1243; J Phys 1889;9:468–473. 14. Lenard P. Wien Ber 1899;108:1649–1666; Ann Phys 1900;2:359–375; 1902;8: 149–198. 15. Elster J, Geitel H.
12. Hallwachs W. Wied Ann Phys 1888;33:301–312. 13. Stotetow AG. Comptes Rendus 1888;106:1149–1152, 1593–1595; 1889;108: 1241–1243; J Phys 1889;9:468–473. 14. Lenard P. Wien Ber 1899;108:1649–1666; Ann Phys 1900;2:359–375; 1902;8: 149–198. 15. Elster J, Geitel H. Wied Ann Phys 1889;38:40–41; 1890;39:332–335; 1890;41: 161–165, 166–176; 1895;55:684–700. 16. Ladenburg E. Ann Phys 1903;12:558–578. 17. Hughes AL. Philos Trans R Soc Lond A 1912;212:575–594. 18. Millikan RA. Phys Rev 1914;4:73–75; 1915;6:55; 1916;7:355–388; Phys Z 1916; 17:217–221.
De Broglie L. Comptes Rendus 1926;183:447–448. 81. Bohm D. Quantum Theory. Englewood Cliffs (NJ): Prentice-Hall; 1951. 82. (a) Ghosh SK, Deb BM. Phys Rep 1982;92:1–44; (b) Deb BM, Ghosh SK. J Chem Phys 1982;77:342–348. 83. Deb BM, Ghosh SK. In: March NH, Deb BM, editors. The Single-Particle Density in Physics and Chemistry. London: Academic Press; 1987. p220–284. 84. Zeeman P. Philos Mag 1897;43:226–239. 85. Stern O, Gerlach W. Z Phys 1922;8:110–111; 1922;9:349–355. 86. Pauli W. Encyklopdie der Mathematischen Wissenschaften.