説明
Electronic Structure of Polymers and Molecular Crystals
Ab Initio and Semi-Empirical Band Structure Calculations on Polymers. - Different LCAO Band Structure Calculations Methods for Periodic Polymers and Molecular Crystals. - Numerical Problems in Calculating Electronic Structure of One-Dimensional Chains. - Optical Properties of Molecular Crystals. - Electronic and Structural Considerations in the Quest for Excitonic Polymeric Superconductors. - Effects of Symmetry on the Band Structure of Polymers. - X-Ray Structure Determination of Polymers. - Experimental Densities in Solids and Their Significance for Theoretical Calculations. - Structure and Bonding in Polymers as Revealed by Electron Spectroscopy for Chemical Applications (ESCA). - Electronic Correlation in Polymers and Molecular Crystals. - Ab Initio SCF-LCAO Hartree-Fock Calculations and the Determination of Correlation Corrections in Three-Dimensional Crystals. - Electronic Structure Calculations on Crystals and Polymers. - Non-Empircal Molecular Orbital Theory for Molecular Crystals. - Interaction Between Polymer Constituents and the Structure of Biopolymers. - Conformation of Constituents in Molecular Crystals. - Application of the SCF-X? Scattered-Wave Method for Molecular Crystals and Polymers. - Electron States of Disordered Chains. - Semi-Empirical Energy Band Structure of Periodic DNA and Protein Models. - Protein Energy Converters. Language: English
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ブランド:
Unbranded
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カテゴリー:
教育
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フォーマット:
Paperback
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刊行日:
2013/04/16
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アーティスト:
Jean-Marie André
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ページ数:
704
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言語:
English
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出版社 / レコード会社:
Springer
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Fruugo ID:
450896176-950606960
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ISBN:
9781475703214