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Modern electronic structure theory and applications in organic chemistry /
This volume focuses on the use of quantum theory to understand and explain experiments in organic chemistry. High level ab initio calculations, when properly performed, are useful in making quantitative distinctions between various possible interpretations of structures, reactions and spectra. Chemi...
| Clasificación: | Libro Electrónico |
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| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Singapore ; River Edge, N.J. :
World Scientific,
©1997.
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| Temas: | |
| Acceso en línea: | Texto completo |
Tabla de Contenidos:
- Some theoretical applications to organic chemistry / Howard E. Zimmerman
- Ab initio studies of elimination reaction mechanisms / Scott Gronert
- Computational analyses of prototype carbene structures and reactions / Holger F. Bettinger [and others]
- Violations of Hund's rule in organic diradicals : where to look for violations and how to identify them / David A. Hrovat and Weston Thatcher Borden
- Ab initio methods for the description of electronically excited states : survey of methods and selected results / Robert J. Cave
- Long-range intramolecular interactions : implications for electron transfer / Kenneth D. Jordan, Dana Nachtigallova and Michael N. Paddon-Row
- The breathing orbital valence bond method / P.C. Hiberty.