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Titlebook: Quantum Chemistry of Polymers — Solid State Aspects; Janos Ladik (Lehrstuhl für theoretische Chemie),Je Book 1984 D. Reidel Publishing Com

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AB Initio Studies on the Structure and Phonon Spectra of Simple Polymers,ny experimental results. An accurate description of energy surfaces of molecules, clusters, polymers and solids is therefore of central importance for the understanding of their static and dynamic properties.
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The Preparation and Properties of Ordered and Disordered Diacetylene Polymers,e form of macroscopic single crystals. The fact that these polymers have conjugated backbones adds considerably to their value as model materials, particularly in view of the interest in other less perfect conjugated polymers, such as polyacetylene, which can be doped to obtain high electrical conductivity.
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Calculational Methods for Disordered Quasi-One-Dimensional Systems, approaches to the problem and present the results of recent calculations on various model systems. In all cases we are aiming at approximate methods for systems sufficiently complex that massive self consistent field calculations are at present completely out of the question.
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Effect of Local Perturbations on the Electronic Structure of Organic Polymers, such as those of large polymer chains, and allow to set on clear formal grounds the question of the perturbation range..The question of time-dependent perturbations is mentioned as the most important coming issue for p.t. applied to polymers.
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Theoretical Interpretation of Valence XPS Spectra of Stereo-Regular Organic Polymers,rst calculations did not attract much interest from the concerned scientists. Attention of solid state physicists on electronic properties was almost exclusively centered on elemental inorganic materials, and polymer chemists, providers of the materials, expressed strong reservations as to the value
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AB Initio Studies on the Structure and Phonon Spectra of Simple Polymers,mental research in the various fields of spectroscopy. Knowledge of the specific arrangement of atoms in stable molecular species and in condensed matter and the development of concepts which explain why certain structures are preferred and others disfavored is the basis for the interpretation of ma
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