Canonical Approaches to Interatomic Interactions

Name: Canonical Approaches to Interatomic Interactions
Brand: Elsevier Science
SKU: 9780323911559
Price: 86563 HUF
Availability: InStock

Theory and Applications

Szerző: Luis A. Rivera-Rivera, Jay R. Walton

Nyelv:

Kötés: Puha kötésű

Kiadó: Elsevier Science

Elérhetőség: Beszállítói készleten

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Typical pathways for modelling interatomic interactions involve the plotting of potential energy aga...

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Szerző

Luis A. Rivera-Rivera, Jay R. Walton

Nyelv

Angol

Kötés

Könyv - Puha kötésű

Kiadva

2025

oldal

310

EAN

9780323911559

ISBN

0323911552

Enbook ID

46232728

Kiadó

Elsevier Science

Súly

450

Méretek

152 x 229

Teljes leírás

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

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Canonical Approaches to Interatomic Interactions

Theory and Applications

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