Quantum Chemistry of Polymers -- Solid State Aspects

ISBN-13: 9789400963689 / Angielski / Miękka / 2012 / 422 str.

J. Ladik; J. Andre; M. Seel

Opis

The NATO Advanced Study Institute on "Quantum Chemistry of Polymers; Solid State Aspects" lIIas held at the MARITIM Congress Hotel Braunlage/Harz in the Federal Republic of Germany from July 25 - August 5, 1983. We lIIish to express our deep gratitude to the NATO Scientific Affairs Division, the main sponsor of the Institute, and to the National Foundation for Cancer Research, Bethesda, Maryland for their substantial support. We sincerely thank Dr. Craig Sinclair, Director of the NATO Advanced Study Institutes program as lIIell as the IIIhole Advanced Study Institute/Advanced Research Workshop Advisory Board of the NATO Scientific Affairs Division, IIIho have honored us by holding their external annual meeting during this School in Braunlage. We are very much indebted also to Dr. Mario Di Lullo, Director of the Advanced Research Workshop program of the NATO Scientific Affairs Division IIIho together lIIith Dr. Sinclair has given a very informative lecture about the NATO ASI/ARW programs. Special thanks are due to Mr. Franklin Salisbury, Executive Director of the National Foundation for Cancer Research, to Mrs. Tamara Salisbury, Deputy Director of the National Foundation for Cancer Research and to Dr. Mary Hennen Aldridge, President of the National Foundation for Cancer Research, IIIho also honored the School lIIith their presence.

Spis treści

Towards Specific AB Initio Programs for Polymer Calculations.- Theoretical Interpretation of Valence XPS Spectra of Stereoregular Organic Polymers.- AB Initio Studies on the Structure and Phonon Spectra of Simple Polymers.- Theory of Excitons in Organic Solids.- Theory of the Electronic Structure and Optical Properties of Organic Solids: Collective Effects.- Calculation of the Mechanical and Optical Properties of Polyethylene Including Electron Correlation Effects.- Synthesis and Properties of Conducting Bridged Macro-Cyclic Metal Complexes.- Carrier Generation, Recombination, and Transport in Organic Crystals.- Electrical Transport Properties of Polyacetylene and Related Compounds.- The Preparation and Properties of Ordered and Disordered Diacetylene Polymers.- Doped Conjugated Polymers: Theory and Experiment.- Resonant Interaction Between Laser Pulses and Surface Layers.- Energy Transfer and Molecular Weight Effects on Polymer Luminescence.- Calculational Methods for Disordered Quasi-One-Dimensional Systems.- Effect of Local Perturbations on the Electronic Structure of Organic Polymers.- Electronic Localization and Delocalization in Organic Metals and Semiconductors.- Electronic Structure of Highly Conducting Polymers and Biopolymers; Solid State Aspects.- Large Scale AB Initio Band Structure Calculations of Polynucleotides and Polypeptides.- Index of Authors.- Index of Subjects.