Chemical Reactions

Basic Theory and Computing

Nonfiction, Science & Nature, Science, Chemistry, Inorganic, Physical & Theoretical
Cover of the book Chemical Reactions by Antonio Laganà, Gregory A. Parker, Springer International Publishing
View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart
Author: Antonio Laganà, Gregory A. Parker ISBN: 9783319623566
Publisher: Springer International Publishing Publication: January 17, 2018
Imprint: Springer Language: English
Author: Antonio Laganà, Gregory A. Parker
ISBN: 9783319623566
Publisher: Springer International Publishing
Publication: January 17, 2018
Imprint: Springer
Language: English

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.

View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart

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.

More books from Springer International Publishing

Cover of the book Social, Cultural, and Behavioral Modeling by Antonio Laganà, Gregory A. Parker
Cover of the book Advances in Energy Systems Engineering by Antonio Laganà, Gregory A. Parker
Cover of the book Sensors and Instrumentation, Aircraft/Aerospace and Energy Harvesting , Volume 8 by Antonio Laganà, Gregory A. Parker
Cover of the book Cell Division Machinery and Disease by Antonio Laganà, Gregory A. Parker
Cover of the book Safety Assessment of Composite Cylinders for Gas Storage by Statistical Methods by Antonio Laganà, Gregory A. Parker
Cover of the book DVD, Blu-ray and Beyond by Antonio Laganà, Gregory A. Parker
Cover of the book Imperial Ladies of the Ottonian Dynasty by Antonio Laganà, Gregory A. Parker
Cover of the book The Scrum Culture by Antonio Laganà, Gregory A. Parker
Cover of the book Clinical Pharmacokinetic and Pharmacodynamic Drug Interactions Associated with Antimalarials by Antonio Laganà, Gregory A. Parker
Cover of the book Trajectory Analysis in Health Care by Antonio Laganà, Gregory A. Parker
Cover of the book Development and Planning in Seven Major Coastal Cities in Southern and Eastern China by Antonio Laganà, Gregory A. Parker
Cover of the book Advances in Human Factors in Cybersecurity by Antonio Laganà, Gregory A. Parker
Cover of the book Statecraft and Liberal Reform in Advanced Democracies by Antonio Laganà, Gregory A. Parker
Cover of the book Business Process Management Forum by Antonio Laganà, Gregory A. Parker
Cover of the book Security in Wireless Sensor Networks by Antonio Laganà, Gregory A. Parker
We use our own "cookies" and third party cookies to improve services and to see statistical information. By using this website, you agree to our Privacy Policy