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This brief introduces the reader to the topic of superhalogens, a special class of atomic clusters that can potentially mimic the behavior of halogen atoms. It provides an introduction to the history of superhalogens, their conceptualization, and experimental...
Density functional theory (DFT) provides the most widely used models for simulating molecules and materials based on the fundamental laws of quantum mechanics. It plays a central role in a huge spectrum of applications in chemistry, physics, and materials...
This book covers the current, state-of-the-art knowledge, fundamental mechanisms, design strategies, and future challenges in electrochemical energy storage devices using polymeric materials. It looks into the fundamentals and working principles of electrochemical...
Understanding Molecular Simulation explains molecular simulation from a chemical-physics and statistical-mechanics perspective. It highlights how physical concepts are used to develop better algorithms and expand the range of applicability of simulations.Understanding...
This book describes cutting edge technology using supercritical fluids for the production of foodstuffs, medicals, and polymers. It illustrates the importance and use of basic data for design and operation at industrial scale units. The book's authors have several...
This volume highlights some recent developments on plants used widely as botanical dietary supplements and herbal medicines, especially in terms of knowledge of the chemical types and diverse biological activities of their constituents, as well as laboratory approaches...
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...
Chemical Thermodynamics and Statistical Aspects: Questions to Ask in Fundamentals and Principles covers a full range of topics in macroscopic and statistical thermodynamics. Every step in the book is compiled with sharp and precise attention to detail. Derivations cover...
Photochemistry and Photophysics of Coordination Compounds: Fundamentals and Applications provides a systematic overview of the photochemical and photophysical properties of coordination compounds with different metal cores. Beginning with a clear introduction to the...
This monograph presents the molecular theory and necessary tools for the study of solvent-induced interactions and forces. After introducing the reader to the basic definitions of solvent-induced interactions, the author provides a brief analysis of the statistical...
This book provides a concise overview of recent advances in Pharmacokinetics (PK) and Pharmacodynamics (PD). The pharmacokinetics section covers the state of the art in Physiologically Based Pharmacokinetic (PBPK) modeling (Chapter 1) as well as the...
The results obtained from kinetic studies on reactions in solids often depend on numerous factors. Therefore, it is important for researchers to understand how both chemical factors related to composition and procedural choices may influence outcomes. Dynamic Processes...
This book starts with a theoretical introduction of the rare earth materials, and it subsequently analyzes the essential characteristics of these materials from elements, compounds to physical chemistry and metal materials, etc. Under the supplementary explanation of...
Co-edited by world-renowned scientists in the field of catalysis, this book contains the cutting-edge in situ and operando spectroscopy characterization techniques operating under reaction conditions to determine a materials’ bulk, surface, and solution complex and...
The growth of technology for chemical assessment has led to great developments in the investigation of chemical reactivity in recent years, but key information is often dispersed across many different research fields. Exploring both traditional and advanced methods,...
The growth of technology for chemical assessment has led to great developments in the investigation of chemical reactivity in recent years, but key information is often dispersed across many different research fields. Combining both original principles and the...
This monograph presents the theoretical background of the industrial process for the production of Al-Si alloys in standard aluminum electrolyzers. It reviews the physical chemistry and electrochemistry of cryolite melts containing silica and focuses on analyzing the...
Schiff Base Metal ComplexesSchiff bases are compounds created from a condensed amino compounds, which frequently form complexes with metal ions. They have diverse applications in biology, catalysis, material science and industry. Understanding these compounds, their...
This book presents the latest progress in enhanced oil recovery technology and introduces the application of various enhanced oil recovery methods in oilfield development. Enhanced oil recovery (EOR) is a continuous theme in oilfield development. Due to the influence of...
The book covers advances in conversion of biomass and derivatives into useful chemicals and fuels. It describes our recent researches relating to the hydrogenation of biomass derivatives by diverse hydrogen sources such as water, isopropanol, gaseous hydrogen and NaBH4...
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