CHEMICAL REACTIONS
6,289.26₹ 7,861.57₹
- Author: ANTONIO LAGANA
- ISBN: 9783319623559
- Availability: In Stock
Buy CHEMICAL REACTIONS | Technical Books, New Arrivals
This graduate textbook, written by experienced lecturers,
features the study and computation of efficient reactive processes. The text
begins with the problem of determining the chemical reaction properties by
first decomposing complex processes into their elementary components. Next, the
problem of two colliding mass points is investigated and relationships between
initial conditions and collision outcomes are discussed. The failure of
classical approaches to match experimental information is discussed and a
quantum formulation of the calculation of the properties of two colliding
bodies is provided. The authors go onto describe how the formalism is extended
to structured collision partners by discussing the methods used to compute the
electronic structure of polyelectronic reactants and products and the formalism
of atom diatom reactions. Additionally, the relationships between the features
of the potential energy surface and the outcomes of the reactive dynamics, are
discussed.
Methods for computing quantum, classical, and semi-classical reactive
probabilities based on the already discussed concepts and tools are also
featured and the resulting main typical reactive behaviors are analyzed.
Finally, the possibility of composing the computational tools and technologies
needed to tackle more complex simulations as well as the various competences
and distributed computing infrastructure needed for developing synergistic
approaches to innovation are presented.