Rode, Bernd Michael,

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.

542.85 / R687b 2007