Problem Solving in Computational Molecular Science Molecules in Different Environments
- List Price: $299.00
- Binding: Hardcover
- Publisher: Kluwer Academic Pub
- Publish date: 12/01/1997
Description:
Molecular properties in different environments.- Quantum-chemical models.- I. An overview.- II. Finite basis sets and the algebraic approximation.- III. Molecular integrals over gaussian-type functions.- IV. Relativistic many-body perturbation theory.- Models for simulating molecular properties in condensed systems.- On calculating the electronic spectroscopy of very large molecules.- Fine and hyperfine structure: Spin properties of molecules.- Molecular simulation - A primer.- Chemical reactions in bulk and on surfaces.
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