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Accurate condensed-phase quantum chemistry /
The theoretical methods of quantum chemistry have matured to the point that accurate predictions can be made and experiments can be understood for a wide range of important gas-phase phenomena. A large part of this success can be attributed to the maturation of hierarchies of approximation, which al...
| Clasificación: | Libro Electrónico |
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| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Boca Raton, FL :
CRC Press,
©2011.
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| Colección: | Computation in chemistry.
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| Temas: | |
| Acceso en línea: | Texto completo |
| Sumario: | The theoretical methods of quantum chemistry have matured to the point that accurate predictions can be made and experiments can be understood for a wide range of important gas-phase phenomena. A large part of this success can be attributed to the maturation of hierarchies of approximation, which allow one to approach very high accuracy, provided that sufficient computational resources are available. Until recently, these hierarchies have not been available in condensed-phase chemistry, but recent advances in the field have now led to a group of methods that are capable of reaching this goa. |
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| Descripción Física: | 1 online resource (xvii, 202 pages) : illustrations |
| Bibliografía: | Includes bibliographical references and index. |
| ISBN: | 9781439808375 1439808376 |