| Description |
1 online resource : 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. 32 |
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Advances in quantum chemistry ; v. 32.
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| Bibliography |
Includes bibliographical references and index. |
| Note |
Print version record. |
| Contents |
Front Cover; Advances in Quantum Chemistry, Volume 32; Copyright Page; Contents Volume 32; Contributors Volume 32; Contents Volume 31; Contributors Volume 31; Preface; Workshop Participants; Chapter 1. Ab Initio Relativistic Quantum Chemistry: Four Components Good, Two Components Bad!; Chapter 2. Modern VB Representations of CASSCF Wave Functions and the Fully Variational Optimization of Modern VB Wave Functions Using the CASVB Strategy; Chapter 3. On the Electronic Structure of ScB+: Ground and Low-Lying Excited States. |
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Chapter 4. On the Effects of Basis Set Truncation and Electron Correlation in the Conformers of 2-Hydroxy-acetamideChapter 5. Gas-Phase Conformational Analysis of (R, R)-Tartaric Acid, Its Diamide, N, N, N', N', -Tetramethyldiamide, and Model Compounds; Chapter 6. Recent Theoretical Developments in Conical-Intersection Effects in Triatomic Spectra; Chapter 7. Ab Initio Determination of Band Structures of Vibrational Spectra of Nonrigid Molecules: Applications to Methylamine and Dimethylamine; Chapter 8. Gauge Invariance and Multipole Moments. |
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Chapter 9. Vertical Electron Transitions in Rydberg RadicalsChapter 10. Time-Dependent Quantum Treatment of Two-Color Multiphoton Ionization Using a Strong Laser Pulse and High-Order Harmonic Radiation; Chapter 11. Methods Involving Complex Coordinates Applied to Atoms; Chapter 12. Recent Advances in the Description of Solvent Effects with the Polarizable Continuum Model; Chapter 13. New ab Initio VB Interaction Potential for Molecular Dynamics Simulation of Liquid Water. |
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Chapter 14. Systematic Sequences of Even-Tempered Gaussian Primitives for Diatomic Molecules in Solution: A Preliminary Study Using Continuum Solvation ModelsChapter 15. Beyond the Transition State Treatment; Index. |
| Summary |
The description of quantum systems is fundamental to an understanding of many problems in chemistry and physics. This volume records a representative slection of the papers delivered at the second European Workshop on Quantum Systems in Chemistry and Physics which was held at Jesus College, Oxford, April 6-9, 1997. The purpose of this international Workshop was to bring together chemists and physicists with a common interest--the quantum mechanical many-body problem--and to encourage collaboration and exchange of ideas on the fundamentals by promoting innovative theory and conceptual de. |
| Subject |
Quantum chemistry.
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Quantum theory.
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Quantum Theory |
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Chimie quantique.
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Théorie quantique.
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SCIENCE -- Chemistry -- Physical & Theoretical.
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Quantum chemistry
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Quantum theory
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| Added Author |
Wilson, S. (Stephen), 1950-
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| Other Form: |
Print version: Advances in quantum chemistry. Volume 32, Quantum Systems in Chemistry and Physics. San Diego : Academic Press, 1999 9780120348336 (DLC) 64008029 |
| ISBN |
9780080582573 (electronic bk.) |
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0080582575 (electronic bk.) |
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0120348330 (electronic bk.) |
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9780120348336 (electronic bk.) |
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9780120348336 |
| Standard No. |
AU@ 000055738869 |
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DEBSZ 405329768 |
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DEBSZ 482460903 |
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