Quantum Modeling of Complex Molecular Systems
| Autor: | Jean-Louis Rivail, Manuel Ruiz-Lopez, Xavier Assfeld |
|---|---|
| EAN: | 9783319216263 |
| eBook Format: | |
| Sprache: | Englisch |
| Produktart: | eBook |
| Veröffentlichungsdatum: | 13.10.2015 |
| Kategorie: | |
| Schlagworte: | Enzymes Mechanisms Modeling Molecular Dynamics Enzymes Molecular Materials Molecular Modeling Enzymes QM/MM methods Recent Quantum Codes for Very Large Systems |
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This multi-author contributed volume includes methodological advances and original applications to actual chemical or biochemical phenomena which were not possible before the increased sophistication of modern computers. The chapters contain detailed reviews of the developments of various computational techniques, used to study complex molecular systems such as molecular liquids and solutions (particularly aqueous solutions), liquid-gas, solid-gas interphase and biomacromolecular systems.
Quantum modeling of complex molecular systems is a useful resource for graduate students and fledgling researchers and is also an excellent companion for research professionals engaged in computational chemistry, material science, nanotechnology, physics, drug design, and molecular biochemistry.
Present status: Emeritus Professor of Theoretical Chemistry, University of Lorraine (Nancy Campus).
Research field: Theoretical modeling of complex molecular systems. Publications (more than 200).
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