Chemical Reactions

Szerző: Antonio Lagan?, Gregory A. Parker

Nyelv:

Kötés: Kemény kötésű

Kiadó: Springer International Publishing AG

Elérhetőség: Beszállítói készleten

Küldés 10-13 napon belül

38 780 Ft

This graduate textbook, written by experienced lecturers, features the study and computation of effi...

Információk a könyvről

Szerző

Antonio Lagan?, Gregory A. Parker

Nyelv

Angol

Kötés

Könyv - Kemény kötésű

Kiadva

2018

oldal

208

EAN

9783319623559

ISBN

3319623559

Enbook ID

16420507

Kiadó

Springer International Publishing AG

Súly

547

Méretek

246 x 165 x 16

Teljes leírás

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.

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Chemical Reactions

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