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Quantum Chemistry: Classical to Computational by Amita Dua (Author)

  • Publisher: CHEMISTRY
  • Availability: In Stock
  • SKU: 56617
  • Number of Pages: 630

Rs.1,280.00

Rs.1,495.00

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"Quantum Chemistry: Classical to Computational" authored by Amita Dua and Chayannika Singh provides a comprehensive exploration of quantum chemistry, spanning classical foundations to modern computational methods. This book serves as a valuable resource for students and researchers in chemistry and related fields, offering a deep dive into theoretical principles, mathematical frameworks, and practical applications in quantum chemical calculations. The authors adeptly navigate through foundational quantum mechanics, molecular structure, spectroscopy, and the computational techniques essential for understanding chemical phenomena at a quantum level. With clear explanations and illustrative examples, this text equips readers with the knowledge and tools necessary to explore and apply quantum chemistry across various scientific disciplines.

Key Points:

  1. Foundational Quantum Mechanics: Covers the principles of quantum mechanics essential for understanding chemical bonding, molecular structure, and electronic properties.

  2. Molecular Structure and Spectroscopy: Explores the application of quantum chemistry to elucidate molecular geometries, energetics, and spectroscopic properties.

  3. Computational Methods: Discusses modern computational techniques such as density functional theory (DFT), molecular dynamics simulations, and quantum Monte Carlo methods.

  4. Mathematical Frameworks: Provides a rigorous treatment of mathematical concepts underlying quantum chemical calculations, including wave functions, operators, and numerical methods.

  5. Applications in Chemistry: Illustrates how quantum chemistry informs chemical research and applications across fields like materials science, drug discovery, and environmental chemistry.

  6. Quantum Chemical Calculations: Guides readers through practical aspects of performing and interpreting quantum chemical calculations using software tools and computational resources.

  7. Emerging Trends and Technologies: Highlights recent advances and emerging trends in quantum chemistry, including the integration of machine learning and artificial intelligence.

  8. Educational Resource: Serves as a comprehensive textbook and reference for students, researchers, and professionals seeking to deepen their understanding of quantum chemistry principles and applications.

  9. Illustrative Examples: Includes real-world examples, case studies, and problem sets to reinforce key concepts and facilitate learning.

  10. Interdisciplinary Insights: Bridges classical concepts with computational approaches, offering interdisciplinary insights into the study of chemical systems at the quantum level.

Conclusion:

"Quantum Chemistry: Classical to Computational" by Amita Dua and Chayannika Singh is an essential text for anyone interested in mastering the principles and applications of quantum chemistry. By blending theoretical foundations with practical computational methods, the authors provide a comprehensive guide that enhances understanding and application in chemical research and beyond. This book stands as a valuable resource for students, educators, and researchers seeking to explore the intricacies of quantum chemical calculations and their implications for advancing scientific knowledge and innovation

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Writer                             Amita Dua (Author), Chayannika Singh (Author)

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