Chemical Information & Computational Challenges in the 21st Century
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Foreword: The Dawns of XXI Century in Chemistry; Conceptual Density Functional Theory: From Inhomogeneous Electronic Gas to Bose-Einstein Condensates; Information Tools Ffor Probing Chemical Bonds; Structural Classification of Complex Molecules by Information Entropy & Equipartition Conjecture; Computation of Quantum Mechanical Hybridization & Dipole Correlation of Electronic Structures of Molecules in Terms of the Localized Molecular Orbitals; Assumptions of Quantum Chemistry; Two-Level Dipolar System in a Thermal Bath Interacting with a Dinamic Perturbation; Data Location in a Four-Dimensional Periodic System of Diatomic Molecules; United Atom Model Approach for the Description of Intermolecular Potential Energy in Computational Chemistry; Stereoisograms: A Remedy Against Oversimplified Dichotomy between Enantiomers & Diastereomers in Stereochemistry; Orthogonal Regression Methods in Chemical Modeling.

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