Description

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Computational Modeling of Molecular Electrocatalyst for Hydrogen Production" is a comprehensive guidebook written by M. Panneerselvam that explores the principles and applications of molecular electrocatalysis in the field of hydrogen production.The book offers a detailed overview of the current state-of-the-art computational tools used in molecular electrocatalysis and hydrogen production, along with their limitations and potential for future developments. It also covers the basic concepts of molecular electrocatalysis, such as electron transfer, activation energy, and reaction kinetics.Panneerselvam delves into the design and development of molecular electrocatalysts for hydrogen production, providing a thorough discussion on the computational modeling and simulation techniques involved in this process. He also explores the challenges and opportunities in developing effective electrocatalysts for hydrogen production, including the optimization of reaction conditions, the selection of appropriate materials, and the identification of key performance indicators.This book will be of great interest to researchers and professionals working in the fields of electrocatalysis, computational chemistry, and renewable energy. It provides a comprehensive reference for anyone looking to gain a deeper understanding of the computational modeling of molecular electrocatalysts for hydrogen production