| Description |
1 online resource |
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text txt rdacontent |
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computer c rdamedia |
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online resource cr rdacarrier |
| Series |
ISSN
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| Note |
Title details screen. |
| Bibliography |
Includes bibliographical references. |
| Contents |
Section A: Quantum chemistry : methodology: 1. Numerical evidence invalidating finite-temperature many-body perturbation theory / Punit K. Jha, So Hirata -- 2. Converging finite-temperature many-body perturbation theory in the grand canonical ensemble that conserves the average number of electrons / So Hirata, Punit K. Jha -- 3. Spectroscopy of linear and circular polarized light with the exact semiclassical light-matter interaction / Marjan Khamesian, Ignacio Fdez. Galván, Mickaël G. Delcey, Lasse Kragh Sørensen, Roland Lindh. |
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Section B: Quantum chemistry : high performance computing developments: 4. Tensor representations and symmetry in many-electron wave functions / T. Daniel Crawford, Roberto Di Remigio. |
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Section C: Quantum chemistry : nanoparticles: 5. Structures and evolution of metal oxide nanoclusters : bottom-up genetic algorithm and fragment-based energy decomposition model / Mingyang Chen. |
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Section D: Quantum chemistry : applications: 6. Computational vibrational spectroscopy for the detection of molecules in space / Ryan C. Fortenberry, Timothy J. Lee -- 7. A comparison of methods for theoretical photochemistry: Applications, successes and challenges / Nicholas S. Hill, Michelle L. Coote -- 8. Mechanism of oxide-catalyzed selective oxidation : a computational perspective / Shenggang Li, David A. Dixon. |
| Summary |
Annual Reports in Computational Chemistry, Volume 15, provides timely and critical reviews of important topics in computational chemistry. Topics covered in this series include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Key Features: Includes timely discussions on quantum chemistry and molecular mechanics; Covers force fields, chemical education, and more; Presents the latest in chemical education and applications in both academic and industrial settings. Readership: Researchers and students interested in computational chemistry as well as computational chemists and chemists interested in using computational approaches to address chemical problems. -- Provided by publisher. |
| Subject |
Chemistry -- Data processing.
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Chemistry -- Computer simulation.
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Cheminformatics |
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Chimio-informatique.
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Chimie -- Simulation par ordinateur.
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Chemistry -- Computer simulation
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Chemistry -- Data processing
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| Added Author |
Dixon, David A., editor.
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| Other Form: |
Ebook version : 9780128171202 |
| ISBN |
0128171197 |
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9780128171202 (ePub ebook) |
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9780128171196 |
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0128171200 |
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9780128171202 |
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9780128171196 (print) |
| Standard No. |
AU@ 000066215255 |
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UKMGB 019589766 |
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UKMGB 019590849 |
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