Encyclopedia Of Computational Chemistry And Molecular Chemistry : From Algorithms To Applications ( 3 Volumes Set )
Computational chemistry has become a useful way to investigate materials that are too difficult to find or too expensive to purchase. It also helps chemists make predictions before running the actual experiments so that they can be better prepared for making observations. The Schroedinger equation (explained in another section) is the basis for most of the computational chemistry scientists use. This is because the Schroedinger equation models the atoms and molecules with mathematics. Currently, there are two ways to approach chemistry problems: computational quantum chemistry and non-computational quantum chemistry Computational quantum chemistry is primarily concerned with the numerical computation of molecular electronic structures by ab initio and semi-empirical techniques and non-computational quantum chemistry deals with the formulation of analytical expressions for the properties of molecules and their reactions. Chemists have been some of the most active and innovative participants in this rapid expansion of computational science. Computational chemistry is simply the application of chemical, mathematical and computing skills to the solution of interesting chemical problems. The publication is timely in view of the impressive development of the methods and techniques with their application to understanding the subject.
AUTOR: Cerasale, Lee
EDITORA: Auris Reference
DISPONIBILIDADE DO PRODUTO: Sob Encomenda - Até 40 dias ( Importação )