Items related to Electronic Structure of Polymers and Molecular Crystals
Synopsis
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.
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Electronic Structure of Polymers and Molecular Crystals
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