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This book begins by providing a simplified version of the computational quantum chemistry sufficient to calculate the wavefunctions that are the basic input of NG-QTAIM. Enough basic (scalar) QTAIM theory is provided to understand the later chapters. In addition, our...
This book introduces the fundamentals, instruments, methodology, and applications of surface plasmon resonance imaging (SPRi) and related techniques. It provides an overview of SPRi development and an easy-to-understand interpretation of theory and operation principles....
This book addresses the construction and application of the major types of basis sets for computational chemistry calculations. In addition to a general introduction, it includes mathematical basics and a discussion of errors arising from incomplete or inappropriate...
This book addresses the nature of the chemical bond in inorganic and coordination compounds. In particular, it explains how general symmetry rules can describe chemical bond of simple inorganic molecules. Since the complexity of studying even simple molecules requires...
This book presents a detailed look at experimental and computational techniques for accurate structure determination of free molecules. The most fundamental property of a molecule is its structure – it is a prerequisite for determining and understanding most other...
This book fills a gap in knowledge between chemistry- and physics-trained researchers about the properties of macroscopic (bulk) material. Although many good textbooks are available on solid-state (or condensed matter) physics, they generally treat simple systems such...
Solid-State NMR Characterization of Heterogeneous Catalysts and Catalytic Reactions provides a comprehensive account of state-of-the-art solid-state NMR techniques and the application of these techniques in heterogeneous catalysts and related catalytic reactions. It...
This book is a comprehensive text covering the research and development trends in the booming field of transition metal catalyzed oxidative cross-coupling reactions. Oxidative cross-coupling reaction is a new method to forming chemical bonds besides the traditional...
This book describes fundamental theory and recent advances of sum frequency generation (SFG) spectroscopy. SFG spectroscopy is widely used as a powerful tool of surface characterization, although theoretical interpretation of the obtained spectra has been a major...
This book covers various molecular, metal-organic, dynamic covalent, polymer and other gels, focusing on their driving interactions, structures and properties. It consists of six chapters demonstrating interesting examples of these gels, classified by the type of...
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