• Sat. Feb 8th, 2025

Theoretical and Computational Chemistry

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  • Theoretical and Computational Chemistry

ISBN: 978-81-970274-4-4

Authors: Dr. Ganesh B. Akat, Dr. Gudipalli Venkat Gaurav, Dr. H. Venkatasubramanian, Dr. M. Esakkiammal

Product Price ₹750.00
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Book Description

Welcome to the captivating realm of Theoretical and Computational Chemistry! This book embarks on a journey through the intricate landscapes of molecules, atoms, and bonds, exploring the fundamental principles that govern their behavior and interactions.

Chemistry, as a discipline, has evolved significantly over the centuries, transcending traditional experimental boundaries to embrace the power of theory and computation. The synergy between theory and computation has revolutionized our understanding of chemical phenomena, enabling us to unravel complex molecular structures, predict reaction mechanisms, and design novel materials with remarkable precision.

In this book, we delve into the theoretical frameworks that underpin modern chemistry, from quantum mechanics to statistical thermodynamics, providing a comprehensive overview of the theoretical concepts essential for understanding molecular properties and behaviors. Through clear explanations and illustrative examples, we aim to demystify the theoretical foundations of chemistry, making them accessible to students and researchers alike.

Furthermore, this book delves into the realm of computational chemistry, where algorithms and simulations serve as indispensable tools for exploring chemical systems at a molecular level. From molecular dynamics to density functional theory, we explore the computational methods that enable us to simulate and analyze complex chemical processes, offering insights that complement experimental observations and guiding the development of new materials and technologies.

We designed this book with students, educators, and researchers in mind, with the intention of fostering a deeper appreciation for the symbiotic relationship between theory, computation, and experimentation in the pursuit of chemical knowledge. Whether you are a novice embarking on your journey in chemistry or a seasoned researcher seeking to expand your horizons, we hope this book serves as a valuable resource and inspires you to explore the fascinating world of Theoretical and  Computational Chemistry.

Finally, we extend our gratitude to the countless scientists whose pioneering work has paved the way for the advancements detailed in this book. Their dedication and ingenuity continue to shape the landscape of chemistry, pushing the boundaries of our understanding and fueling the quest for new discoveries.

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