Molecular Orbital Calculations Using Chemical Graph Theory
Autor Jerry R. Diasen Limba Engleză Paperback – 19 mai 1993
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Specificații
ISBN-13: 9783540561347
ISBN-10: 354056134X
Pagini: 132
Ilustrații: XI, 115 p.
Dimensiuni: 155 x 235 x 7 mm
Greutate: 0.2 kg
Ediția:Softcover reprint of the original 1st ed. 1993
Editura: Springer Berlin, Heidelberg
Colecția Springer
Locul publicării:Berlin, Heidelberg, Germany
ISBN-10: 354056134X
Pagini: 132
Ilustrații: XI, 115 p.
Dimensiuni: 155 x 235 x 7 mm
Greutate: 0.2 kg
Ediția:Softcover reprint of the original 1st ed. 1993
Editura: Springer Berlin, Heidelberg
Colecția Springer
Locul publicării:Berlin, Heidelberg, Germany
Public țintă
Professional/practitionerCuprins
1. Small Conjugated Polyenes.- 1.1 Introduction.- 1.2 Hückel Molecular Orbital Calculations.- 1.3 Graph Theoretical Terminology.- 1.4 Determining Characteristic Polynomials.- 1.5 Determining Select Eigenvalues by Embedding.- 1.6 Eigenvectors.- 1.7 References.- 1.8 Problems.- 2. Decomposition of Molecules with n-Fold Symmetry.- 2.1 Introduction.- 2.2 Decomposition of Molecules with 2-Fold Symmetry.- 2.3 Molecules with n-Fold Symmetry.- 2.4 References.- 2.5 Problems.- 3. Heterocyclic and Organometallic Molecules.- 3.1 Introduction.- 3.2 Heterocyclic and Related Molecules.- 3.3 Characteristic Polynomials of ?-Hydrocarbon-Iron Tricarbonyl Complexes.- 3.4 References.- 3.5 Problems.- 4. Large Conjugated Polyenes.- 4.1 Introduction.- 4.2 Molecular Orbital Solution of Buckminsterfullerene.- 4.3 MO Solution of 3-Fold Coronene Derivatives.- 4.4 Embedding of Benzenoid Hydrocarbons.- 4.5 References.- 4.6 Problems.- Appendix A. BASIC Program for Finding the Real Roots of a Monic Polynomial.- Compound Index.- General Index.