Canonical Approaches To Interatomic Interactions

Theory And Applications

de Luis A. Rivera-Rivera e Jay R. Walton 

eBook
Bertrand.pt - Canonical Approaches To Interatomic Interactions
idioma: Inglês
Editor: ELSEVIER SCIENCE
Edição: outubro de 2025
10%
205,38€
184,84€
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EBOOK PARA ADOBE DIGITAL EDITIONS (ADE)

Typical pathways for modelling interatomic interactions involve the plotting of potential energy against radial displacement, but such approaches can be computationally costly. Canonical Approaches to Interatomic Interactions: Theory and Applications provides an overview of the field and presents a replicable, novel force-based approach that demonstrates accurate and quantitative interrelations between weakly bound and strong covalently bound intermolecular interactions.Beginning with an introduction to Potential Energy Surfaces (PES) and modern approaches in Part 1, Part 2 goes on to describe Canonical Approaches in detail, including methodologies and data to allow replication. Part 3 then goes on to outline some key applications, before future directions are discussed in Part 4.Sharing the insight of its progressive authors, Canonical Approaches to Interatomic Interactions: Theory and Applications is an informative guide for all those working with interatomic interactions and PES, including researchers in in chemical kinetics and bonding, molecular mechanics, quantum chemistry and molecular modelling. - Outlines both traditional and novel theories and models for intermolecular interactions- Reviews modern interpolation and fitting methods, and highlights advantages and disadvantages for each- Provides data and methodologies for novel canonical approaches to generating potential energy surfaces, encouraging replication

Canonical Approaches To Interatomic Interactions
Theory And Applications
de Luis A. Rivera-Rivera e Jay R. Walton 
ISBN:
9780323911610
Ano de edição:
10-2025
Editor:
ELSEVIER SCIENCE
Idioma:
Inglês
Tipo de Produto:
eBook
Formato:
ePUB para ADE i
EAN:
9780323911610
Acessibilidade:
Ver caracteristicas de acessibilidade indicadas pelo editor
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