Books in Atomic and molecular structure

Molecular Orbital Theory and Frontier Orbitals for Organic Chemistry

1st Edition
October 7, 2025
Dipak Kumar Mandal
English

Molecular Orbital Theory and Frontier Orbitals for Organic Chemistry: A Practical Guide is a crucial text for students of organic chemistry. This book provides simple, yet quantifiable explanations based on molecular orbital-based reasoning. It seeks to deepen the reader's understanding of long-standing concepts in MO theory, while also formulating new ones through perturbation molecular orbital theory. Written for undergraduates, graduates, and researchers, the book includes many problems with detailed solutions, allowing readers to test their knowledge as they progress through each chapter.The book emphasizes a practical and pedagogical approach, perfected through the authors' extensive teaching experience. It is ideal for those wishing to gain a thorough understanding of molecular orbital theory, from students to seasoned chemists. The text aims to be distinct in its methodology, making it accessible to a wide audience. The inclusion of in-chapter problems helps reinforce learning, ensuring that readers can immediately apply what they have learned. This book serves as an indispensable resource for anyone seeking to master this fundamental aspect of organic chemistry.

Theoretical and Physical Chemistry of Triel Bonding

1st Edition
Volume 23
September 1, 2025
Sławomir Janusz Grabowski
English
Paperback
9 7 8 0 4 4 3 3 3 4 0 3 0
eBook
9 7 8 0 4 4 3 3 3 4 0 4 7

Theoretical and Physical Chemistry of Triel Bonding: Properties, Mechanisms, and Catalysis explores triel and their compounds, providing a detailed analysis of their molecular and electronic structures, areas often disputed and controversial. It offers a comprehensive description and explanation, emphasizing the unique differences between boron and heavier triel atoms. Key sections cover theoretical foundations, types of interactions, and examples of triel bonds and their characteristics. Additionally, the book highlights triel elements functioning as catalysts and boron compounds in hydrogen storage. Designed for advanced students and researchers in physical or theoretical/computat... chemistry, it will also interest organic and inorganic chemists.Compounds of boron and other triel centres have been the subject of numerous studies for a long time, with their properties well-known and frequently discussed. However, the more detailed characteristics of triel compounds have not been well analyzed in existing research and their molecular and electronic structures have often been the subject of dispute and controversy. Triel bonds as a thematic area have garnered significant interest in recent years and this book provides a much broader description and explanation of their properties and characteristics than has previously been available, discussing aspects which are unique to triel bonds such as the differences between boron and the heavier triel atoms.

Nanochemistry

1st Edition
August 4, 2023
Anna Klinkova + 1 more
English
Paperback
9 7 8 0 4 4 3 2 1 4 4 7 9
eBook
9 7 8 0 4 4 3 2 1 4 4 8 6

Nanochemistry: Chemistry of Nanoparticle Formation and Interactions provides an overview of the chemistry aspects of nanoparticle science, including nanoparticle synthesis, chemical properties, stability, applications and self-assembly behavior. The critical concepts discussed in this book represent the necessary toolbox for enabling the rational design of nanoparticle-based materials for target applications. After an introduction to standard analytical techniques used for nanoparticle characterization, four separate chapters cover inorganic, organic, polymer nanoparticles, and carbon nanostructures to highlight the synthetic protocols, structural intricacies, and chemical properties specific to each of these material classes. Finally, physicochemical phenomena governing self-assembly behavior of nanoparticles are also discussed in detail separately. This book is intended for senior undergraduate, graduate and postgraduate students and research scientists in nanoscience and nanotechnology, material science, chemistry, physics, biomedical sciences and relevant engineering fields that want to develop a deeper understanding of the governing chemical principles on the nanoscale.

Hot Topics in Crystal Engineering

1st Edition
August 24, 2021
Kari Rissanen
English
Paperback
9 7 8 0 1 2 8 1 8 1 9 2 8
eBook
9 7 8 0 1 2 8 1 8 1 9 3 5

Hot Topics in Crystal Engineering covers the design and synthesis of single crystalline solid-state materials, their properties and applications, focusing on the understanding and use of intermolecular interactions that constitute single crystalline materials. Many of the most modern materials, such as metal-organic frameworks (MOFs) capable of gas storage and separation, and selective entrapment of harmful substances, are the result of the rational use of crystal engineering. Topics covered in this work highlight breakthroughs in this rapidly developing field. This work offers a carefully chosen cross-section of the latest developments, some in their early infancy and some covered for the first time.

NMR of Paramagnetic Molecules

2nd Edition
Volume 2
September 15, 2016
Ivano Bertini + 3 more
English
Hardback
9 7 8 0 4 4 4 6 3 4 3 6 8
eBook
9 7 8 0 4 4 4 6 3 4 4 8 1

NMR of Paramagnetic Molecules: Applications to Metallobiomolecules and Models, Second Edition is a self-contained, comprehensive reference for chemists, physicists, and life scientists whose research involves analyzing paramagnetic compounds. Since the previous edition of this book was published, there have been many advancements in the field of paramagnetic NMR spectroscopy. This completely updated and expanded edition contains the latest fundamental theory and methods for mastery of this analytical technique. Users will learn how to interpret the NMR spectra of paramagnetic molecules, improve experimental techniques, and strengthen their understanding of the underlying theory and applications.

Principles and Applications of Quantum Chemistry

1st Edition
October 15, 2015
V.P. Gupta
English
Paperback
9 7 8 0 1 2 8 0 3 4 7 8 1
eBook
9 7 8 0 1 2 8 0 3 5 0 1 6

Principles and Applications of Quantum Chemistry offers clear and simple coverage based on the author’s extensive teaching at advanced universities around the globe. Where needed, derivations are detailed in an easy-to-follow manner so that you will understand the physical and mathematical aspects of quantum chemistry and molecular electronic structure. Building on this foundation, this book then explores applications, using illustrative examples to demonstrate the use of quantum chemical tools in research problems. Each chapter also uses innovative problems and bibliographic references to guide you, and throughout the book chapters cover important advances in the field including: Density functional theory (DFT) and time-dependent DFT (TD-DFT), characterization of chemical reactions, prediction of molecular geometry, molecular electrostatic potential, and quantum theory of atoms in molecules.

Proceedings of MEST 2012: Electronic Structure Methods with Applications to Experimental Chemistry

1st Edition
Volume 68
January 3, 2014
Philip E. Hoggan
English
Hardback
9 7 8 0 1 2 8 0 0 5 3 6 1
eBook
9 7 8 0 1 2 8 0 0 6 6 3 4

Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. This volume focuses on the theory of heavy ion physics in medicine.

Advances in Quantum Chemistry

1st Edition
Volume 66
July 23, 2013
John R. Sabin + 1 more
English
eBook
9 7 8 0 1 2 4 0 7 9 0 6 9

Advances in Quantum Chemistry

1st Edition
Volume 62
July 8, 2011
John R. Sabin + 1 more
English
eBook
9 7 8 0 1 2 3 8 6 4 7 8 9

Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. This series provides a one-stop resource for following progress in this interdisciplinary area.

Advances in Quantum Chemistry

1st Edition
Volume 61
June 21, 2011
John R. Sabin + 1 more
English
eBook
9 7 8 0 1 2 3 8 6 0 1 4 9

Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. This series provides a one-stop resource for following progress in this interdisciplinary area.

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Books in Atomic and molecular structure

Molecular Orbital Theory and Frontier Orbitals for Organic Chemistry

Theoretical and Physical Chemistry of Triel Bonding

Nanochemistry

Hot Topics in Crystal Engineering

NMR of Paramagnetic Molecules

Principles and Applications of Quantum Chemistry

Proceedings of MEST 2012: Electronic Structure Methods with Applications to Experimental Chemistry

Advances in Quantum Chemistry

Advances in Quantum Chemistry

Advances in Quantum Chemistry