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Title Computational modelling and simulations for designing of corrosion inhibitors : fundamentals and realistic applications / edited by Dakeshwar Kumar Verma, Chandrabhan Verma, Jeenat Aslam.

Publication Info. Amsterdam, Netherlands ; Oxford, United Kingdom ; Cambridge MA : Elsevier, [2023]

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Location Call No. OPAC Message Status
 Axe Elsevier ScienceDirect Ebook  Electronic Book    ---  Available
Description 1 online resource (1 volume)
text txt rdacontent
computer c rdamedia
online resource cr rdacarrier
Bibliography Includes bibliographical references and index.
Summary Computational Modeling and Simulations for Designing of Corrosion Inhibitors: Fundamentals and Realistic Applications offers a collection of major advancements in the field of computational modeling for the design and testing of corrosion inhibition effectiveness of organic corrosion inhibitors. This guide presents the latest developments in molecular modeling of organic compounds using computational software, which has emerged as a powerful approach for theoretical determination of corrosion inhibition potentials of organic compounds. The book covers common techniques involved in theoretical studies of corrosion inhibition potentials, and mechanisms such as density functional theory, molecular dynamics, Monte Carlo simulations, artificial neural networks, and quantitative structure-activity relationship.
Note Description based on online resource; title from digital title page (viewed on July 13, 2023).
Subject Corrosion and anti-corrosives -- Computer simulation.
Corrosion and anti-corrosives -- Mathematical models.
Corrosion and anti-corrosives -- Computer simulation
Corrosion and anti-corrosives -- Mathematical models
Added Author Verma, Dakeshwar Kumar, editor.
Verma, Chandrabhan, editor.
Aslam, Jeenat, editor.
Other Form: Print version: Computational modelling and simulations for designing of corrosion inhibitors. Amsterdam : Elsevier, 2023 9780323951616 (OCoLC)1350634827
ISBN 9780323951623 electronic book
0323951627 electronic book
9780323951616
0323951619
Standard No. UKMGB 020802905

 
    
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