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Chemical modelling : applications and theory. Vol. 2, A review of the literature published between June 1999 and May 2001 /
Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules & materials. Each chapter is compiled by exp...
| Clasificación: | Libro Electrónico |
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| Autor Corporativo: | |
| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Cambridge :
Royal Society of Chemistry,
2002.
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| Colección: | Specialist periodical report.
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| Temas: | |
| Acceso en línea: | Texto completo |
Tabla de Contenidos:
- Front matter;Preface;Contents;Simulation of the liquid state;Enumeration in chemistry;Density functional theory;Numerical methods for the solution of 1D, 2D and 3D differential equations arising in chemical problems;Computer-aided drug design 2000-2001;Electric multipoles, polarizabilities, hyperpolarizabilities and analogous magnetic properties;Many-body perturbation theory and its application to the molecular electronic structure problem;Quantum topological atoms.