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Chemical reactions : basic theory and computing

Author: Antonio Laganà; Gregory A Parker
Publisher: Cham, Switzerland : Springer, 2018.
Series: Theoretical chemistry and computational modelling
Edition/Format:   eBook : Document : EnglishView all editions and formats
Summary:
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  Read more...
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Genre/Form: Electronic book
Electronic books
Additional Physical Format: Printed edition:
Material Type: Document, Internet resource
Document Type: Internet Resource, Computer File
All Authors / Contributors: Antonio Laganà; Gregory A Parker
ISBN: 9783319623566 3319623567
OCLC Number: 1020319297
Description: 1 online resource (xvi, 208 pages) : illustrations (some color)
Contents: From the phenomenology of chemical reactions to the study of two body collisions --
A quantum approach to the two body problem --
Ab initio electronic structure for few body systems --
The treatment of few body reactions --
Complex reactive applications: a forward look to Open Science --
Appendices.
Series Title: Theoretical chemistry and computational modelling
Responsibility: Antonio Laganà, Gregory A. Parker.

Abstract:

This graduate textbook, written by experienced lecturers, features the study and computation of efficient reactive processes. Methods for computing quantum, classical, and semi-classical reactive  Read more...

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