The basics of theoretical and computational chemistry /
Bernd M. Rode, Thomas S. Hofer, and Michael D. Kugler.
- ix, 183 páginas : ilustraciones
Incluye bibliografía.
Basic concepts of vector space theory of matter -- Consequences of quantum mechanics -- Chemistry and quantum mechanics -- Approximations for many-electron systems -- Perturbation theory in quantum chemistry -- Group theory in theoretical chemistry -- Computational quantum chemistry methods -- Force field methods and molecular modelling -- Statistical simulations: Monte Carlo and molecular dynamics methods -- Synopsis.
3527317732 9783527317738
Química.--Procesamiento electrónico de datos. Química.--Simulación por computadores.