| Description |
1 online resource (xxii, 394 pages) : illustrations. |
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text txt rdacontent |
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computer c rdamedia |
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online resource cr rdacarrier |
| Series |
Advances in quantum chemistry ; v. 36 |
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Advances in quantum chemistry ; v. 36.
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| Bibliography |
Includes bibliographical references and index. |
| Summary |
Advances in Quantum Chemistry publishes articles and invited reviews by leading international researchers in quantum chemistry. Quantum chemistry deals particularly with the electronic structure of atoms, molecules, and crystalline matter and describes it in terms of electron wave patterns. It uses physical and chemical insight, sophisticated mathematics and high-speed computers to solve the wave equations and achieve its results. Advances highlights these important, interdisciplinary developments. |
| Contents |
Chapter 1. Half a Century of Hybridization -- Chapter 2. Core and Valence Electrons in Atom-by-Atom Descriptions of Molecules -- Chapter 3. From Classical Density Functionals to Adiabatic Connection Methods: The State of the Art -- Chapter 4. Exchange-Energy Density Functionals as Linear Combinations of Homogeneous Functionals of Density -- Chapter 5. Density Functional Computations and Mass Spectrometric Measurements. Can This Coupling Enlarge the Knowledge of Gas-Phase Chemistry? -- Chapter 6. A Recent Development of the CS INDO Model: Treatment of Solvent Effects on Structures and Optical Properties of Organic Dyes -- Chapter 7. Regioselectivity and Diastereoselectivity in the 1,3-Dipolar Cycloadditions of Nitrones with Acrylonitrile and Maleonitrile: The Origin of ENDO/EXO Selectivity -- Chapter 8. Solvent-Mediated Proton Transfer Reactions in Cytosine: An Abinitio Study -- Chapter 9. Electron Correlation at the Dawn of the 21st Century -- Chapter 10. Approximate Coupled Cluster Methods: Combined Reduced Multireference and Almost-Linear Coupled Cluster Methods with Singles and Doubles -- Chapter 11. The Half Projected Hartree-Fock Model for Determining Singlet Excited States -- Chapter 12. Complexation of Transition Metal Cations (Sc+, Fe+, Cu+) by One Cyanide Radical -- Chapter 13. On the Photophysics of Molecules with Charge-Transfer Excitations between Aromatic Rings -- Chapter 14. Proton Assisted Electron Transfer-- Chapter 15. Lanczos Calculation of the X2A1/A2B2 Nonadiabatic Franck- Condon Absorption Spectrum of NO21 -- Chapter 16. Hyperspherical Coordinates for Chemical Reaction Dynamics -- Chapter 17. On the Einstein-Podolsky-Rosen Paradox. |
| Note |
Print version record. |
| Subject |
Del Re, Giuseppe, 1932-
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Quantum chemistry.
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Chimie quantique.
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SCIENCE -- Chemistry -- Physical & Theoretical.
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Quantum chemistry
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| Added Author |
Barone, Vincenzo, 1964-
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Lami, Alessandro, 1949-
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| Other Form: |
Print version: From electronic structure to time-dependent processes. San Diego, Calif. : Academic Press, ©2000 0120348365 (OCoLC)867422147 |
| ISBN |
9780080582610 (electronic bk.) |
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0080582613 (electronic bk.) |
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0120348365 (print) |
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9780120348367 (print) |
| Standard No. |
AU@ 000047643223 |
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DEBSZ 405329962 |
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AU@ 000065074043 |
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