1 Electronic Charge Distributions. - Electron Population Analysis. - Basis Functions. - 2 Charge Analysis of Simple Alkanes. - Inductive Effects of Alkyl Groups. - Back-Calculation of Atomic Charges from the Inductive Effects. - Comparison with Theoretical Population Analyses. - Conclusions. - 3 A Modified Population Analysis. - Criterion for Selecting a Theoretical Method for the Study of Molecular Properties Involving Charges. - A Modified Population Analysis. - Numerical Comparisons of Atomic Charges. - The Most Even Electron Distribution. - On the Precision of Theoretical Charges. - Inductive Effects and Charge Distributions. - Conclusions. - 4 Charge Analyses Involving Nuclear Magnetic Resonance Shifts. - Relationships between Nuclear Magnetic Resonance Shifts and Atomic Charges. - Charge-Shift Relationships Involving sp2 Carbon Atoms. - Relationships Involving sp3 Carbon Atoms. - Relationships Involving Oxygen Atoms. - Charge Analyses. - Conclusions. - 5 The Molecular Energy A Theory of Electron Density. - The Molecule in its Hypothetical Vibrationless State. - Energy Components in Isolated Atoms. - Relationships between Electronic Orbital and Total Energies in Molecules. - Binding of an Atom in a Molecule. - Non-Transferability of Bond Energy Terms. - Charge Dependence of Chemical Binding. - Evaluation of the aij Parameters. - Physical Interpretation of the aij Parameters. - Summary. - 6 Energy Analysis of Saturated Hydrocarbons. - The Boat and Chair Forms of Cyclohexane. - General Formulas for Saturated Hydrocarbons. - Definition of Charges Satisfying Eqs. 5. 465. 48. - Numerical Applications: Saturated Hydrocarbons. - Nonbonded Interaction Energies. - Approximate ?Em2Calculations of Saturated Hydrocarbons. - Conclusions. - 7 On the Role of Vibrational Energies. - Outline of Calculations. -Noncyclic Alkanes. - Cycloalkanes. - Ethylenic Hydrocarbons. - Carbonyl Compounds. - Ethers. - On the Quasi-Additivity of Vibrational Energies. - Ring Strain and Vibrational Energies. - Summary. - 8 Unsaturated Hydrocarbons. - Energy Formula for CnH2n Olefins. - Numerical Applications: CnH2n Olefins. - Bond-by-Bond Calculation of Olefins. - Exo- vs. Endocyclic Double Bonds. - Dienes Allenes Alkynes and Benzene. - Conclusions. - 9 Energy Analysis of Oxygen-Containing Compounds. - Charge Normalization. - Ethers. - Carbonyl Compounds. - Conclusions. - 10 Conclusion and Assessment. - Charge Distributions. - Molecular Energies. - Appendix Summary of Final Equations and Input Parameters. - Author Index. Language: English