• الرئیسیة
  • البحث المتقدم
  • قائمة المکتبات
  • حول الموقع
  • اتصل بنا
  • نشأة
  • ورود / ثبت نام

عنوان
Graph Theoretical Approaches to Chemical Reactivity

پدید آورنده
edited by Danail Bonchev, Ovanes Mekenyan.

موضوع
Graph theory.,Reactivity (Chemistry)

رده
QD505
.
5
E358
1994

کتابخانه
کتابخانه مطالعات اسلامی به زبان های اروپایی

محل استقرار
استان: قم ـ شهر: قم

کتابخانه مطالعات اسلامی به زبان های اروپایی

تماس با کتابخانه : 32910706-025

9401045267
9401112029
9789401045261
9789401112024

b595695

Graph Theoretical Approaches to Chemical Reactivity
[Book]
edited by Danail Bonchev, Ovanes Mekenyan.

Dordrecht
Springer Netherlands : Imprint : Springer
1994

(296 pages)

Understanding chemical reactivity, 9.

1. Introduction to Graph Theory; H. Hosoya. 2. The Interplay between Graph Theory and Molecular Orbital Theory; N. Trinajistic, Z. Mihalic, A. Graovac. 3. Topological Control of Molecular Orbital Theory: a Comparison of mu2-Scaled Huckel Theory and Restricted Hartree-Fock Theory for Boranes and Carboranes; R. Rousseau, S. Lee. 4. Polyhedral Dynamics; R.B. King. 5. Reaction Graphs; A.T. Balaban. 6. Discrete Representations of Three-Dimensional Molecular Bodies and their Shape Changes in Chemical Reactions; P.G. Mezey. 7. The Invariance of Molecular Topology in Chemical Reactions; E.V. Babaev. 8. Topological Indices and Chemical Reactivity; O. Mekenyan, S.C. Basak. 9. Graph-Theoretical Models of Complex Reaction Mechanisms and their Elementary Steps; O.N. Temkin, A.V. Zeigarnik, D. Bonchev. Index.

This is the first book to concentrate on elucidating chemical reactivity from the viewpoint of molecular topology. Describing the most fundamental structural patterns in molecules, topology and graph theory are regarded to be the ideal tools for exploring the relationships between the structure and the properties of chemical compounds. A team of internationally recognized experts from seven countries present a variety of graph-theoretical and topological approaches to chemical reactivity. The specific topics covered include among others, the latest developments in the interplay between graph theory and molecular orbital theory, three dimensional molecular shapes and their changes, isomerization reactions in organic and inorganic chemistry, topological indices and their application to structure-reactivity relationships and mechanistic studies. Useful topology-based reactivity rules and more general principles controlling topology changes in chemical reactions are also presented.
For researchers, teachers and students in all areas of chemistry.

Graph theory.
Reactivity (Chemistry)

QD505
.
5
E358
1994

edited by Danail Bonchev, Ovanes Mekenyan.

Danail Bonchev
Ovanes Mekenyan

 مطالعه متن کتاب 

[Book]

Y

الاقتراح / اعلان الخلل

تحذیر! دقق في تسجیل المعلومات
ارسال عودة
تتم إدارة هذا الموقع عبر مؤسسة دار الحديث العلمية - الثقافية ومركز البحوث الكمبيوترية للعلوم الإسلامية (نور)
المكتبات هي المسؤولة عن صحة المعلومات كما أن الحقوق المعنوية للمعلومات متعلقة بها
برترین جستجوگر - پنجمین جشنواره رسانه های دیجیتال