مكتبة جرير

Molecular Orbitals and their Energies

Studied by the Semiempirical HAM Method

كتاب مطبوع
557ر.س.
شامل ضريبة القيمة المضافة
وحدة البيع: EACH
33ر.س.شهرياً/24 شهر
المؤلف:Lindholm, Einar
تاريخ النشر: 1985
تصنيف الكتاب:التربية والتعليم,الكتب الانجليزية,
عدد الصفحات:304 Pages
الصيغة:غلاف ورقي
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557ر.س.
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عن المنتج

This treatment of molecular and atomic physics is primarily meant as a textbook. It is intended for both chemists and physicists. -It can be read without much knowledge of quantum mechanics or mathematics, since all such details are explained-. It has developed through a series of lectures at the Royal Institute of Technology. The content is to about 50 % theoretical and to 50 % experimental. The reason why the authors, who are experimentalists, went into theory is the following. When we during the beginning of the 1970s measured photo- electron spectra of organic molecules, it appeared to be impossible to understand them by use of available theoretical calculations. To handle hydrocarbons we ( together with C. Fridh ) constructed in 1972 a purely empirical procedure, SPINDO [1] which has proved to be useful, but the extension to molecules with hetero- atoms appeared to be difficult. One of us ( L.A.) proposed then another purely E!E! ! EE2 E ( Hydrogenic Atoms in Molecules, HAM/1, unpublished), in which the Fock matrix elements f5..y were parametrized using Slaters shielding concept. The self-repulsion was compensated by a term "-1". The 2 _ ff2E, HAM/2 [2], started from the total energy E: . of the molecule. The atomic parts of L used the Slater shielding constants, and the bond parts of E. were taken from SPINDO. The Fock matrix elements Fpv were then obtained from E in a conventional way.
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المواصفات

رقم الصنف9783540156598
رقم المصنع9783540156598
تاريخ النشر1985
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