Theoretical and Computational Chemistry research has made unparalleled advancements in understanding every expanding area of science and technology. This volume presents the state-of-the-art research and progress made by eminent researchers in the area of theoretical computational chemistry and physics. The title mirrors the name of the annual international conference "Conference on Current Trends on Computational Chemistry" (CCTCC) which has become a popular discussion ground for eminent Theoretical and Computational Chemists and has been honored by the presence of several Nobel Laureates. Practical Aspects of Computational Chemistry III is aimed at theoretical and computational chemists, physical chemists, material scientists and those who are eager to apply computational chemistry methods to problems of chemical and physical importance. The book is a valuable resource for undergraduate, graduate and PhD students as well as established researchers.

This book offers a comprehensive account of energetic materials, including their synthesis, computational modeling, applications, associated degradation mechanisms, environmental consequences and fate and transport. This multi-author contributed volume describes how armed forces around the world are moving their attention from legacy explosive compounds, which are heat and shock sensitive (thus posing greater challenges in terms of handling and storage), to the insensitive munitions compounds/formulations such as insensitive munitions explosive (IMX) and the Picatinny Arsenal Explosive (PAX) series of compounds. The description of energetic materials focuses on explosives, pyrotechnic compositions, and propellants. The contributors go on to explain how modern generation energetic compounds must be insensitive to shock and heat but at the same time yield more energy upon explosion. Nanoinspired and/or co-crystallized energetic materials offer another route to generate next-generation energetic materials, and this authoritative book bridges a large gap in the literature by providing a comprehensive analysis of these compounds. Additionally, it includes a valuable overview of energetic materials, a detailed discussion of recent advances on future energetic compounds, nanotechnology in energetic materials, environmental contamination and toxicity, assessment of munitions lethality, the application quantitative structure-activity relationship (QSAR) in design of energetics and the fate and transport of munition compounds in the environment.

This book presents contributions on a wide range of computational research applied to fields ranging from molecular systems to bulk structures. This volume highlights current trends in modern computational chemistry and discusses the development of theoretical methodologies, state-of-the-art computational algorithms and their practical applications. This volume is part of a continuous effort by the editors to document recent advances by prominent researchers in the area of computational chemistry. Most of the chapters are contributed by invited speakers and participants to International annual conference "Current Trends in Computational Chemistry", organized by Jerzy Leszczynski, one of the editors of the current volume. This conference series has become an exciting platform for eminent theoretical and computational chemists to discuss their recent findings and is regularly honored by the presence of Nobel laureates. Topics covered in the book include reactive force-field methodologies, coarse-grained modeling, DNA damage radiosensitizers, modeling and simulation of surfaces and interfaces, non-covalent interactions, and many others. The book is intended for theoretical and computational chemists, physical chemists, material scientists and those who are eager to apply computational chemistry methods to problems of chemical and physical importance. It is a valuable resource for undergraduate, graduate and PhD students as well as for established researchers.

Designed for undergraduate and graduate students interested in learning basic soil physics and its application to environment, soil health, water quality and productivity, this book provides readers with a clear coverage of the basic principles of water and solute transport through vadose zone, the theory behind transport and step-by-step guidance on how to use current computer models in the public domain along with soil erosion and contaminant remediation. Students will develop a deeper understanding of the fundamental processes within the soil profile that control water infiltration, redistribution, evapotranspiration, drainage, and erosion. The updated second edition features two new chapters, highlighting new problems, new computer models, and remediation. Features Serves as the most up-to-date textbook on soil physics available. Includes two new chapters and many new numerical examples. Offers mathematical descriptions supported by simplified explanations. Provides case studies and step-by-step guidance on how to use public domain computer models. Covers all principles and processes in an easy-to-understand format with numerous illustrations and sample problems. Students studying in the fields of Soil Science, Environment Science, Natural Resources, Agriculture Engineering, Civil Engineering, Environmental Engineering, Range Sciences, Horticulture, Crop Sciences, and Forestry, will find this book provides a solid foundation for their studies. Professionals, researchers, academicians, and companies working in fields related to Environmental Science, Soil Physics, Hydrology, and irrigation, will find this book is a great reference tool as it is the most up to date in its field.

Principles of Soil Physics examines the impact of the physical, mechanical, and hydrological properties and processes of soil on agricultural production, the environment, and sustainable use of natural resources. The text incorporates valuable assessment methods, graphs, problem sets, and tables from recent studies performed around the globe and offers an abundance of tables, photographs, and easy-to-follow equations in every chapter. The book discusses the consequences of soil degradation, such as erosion, inhibited root development, and poor aeration. It begins by defining soil physics, soil mechanics, textural properties, and packing arrangements . The text continues to discuss the theoretical and practical aspects of soil structure and explain the significance and measurement of bulk density, porosity, and compaction. The authors proceed to clarify soil hydrology topics including hydrologic cycle, water movement, infiltration, modeling, soil evaporation, and solute transport processes. They address the impact of soil temperature on crop growth, soil aeration, and the processes that lead to the emission of greenhouse gases. The final chapters examine the physical properties of gravelly soils and water movement in frozen, saline, and water-repellant soils. Reader-friendly and up-to-date, Principles of Soil Physics provides unparalleled coverage of issues related to soil physics, structure, hydrology, aeration, temperature, and analysis and presents practical techniques for maintaining soil quality to ultimately preserve its sustainability.

Principles of Soil Physics examines the impact of the physical, mechanical, and hydrological properties and processes of soil on agricultural production, the environment, and sustainable use of natural resources. The text incorporates valuable assessment methods, graphs, problem sets, and tables from recent studies performed around the globe and offers an abundance of tables, photographs, and easy-to-follow equations in every chapter. The book discusses the consequences of soil degradation, such as erosion, inhibited root development, and poor aeration. It begins by defining soil physics, soil mechanics, textural properties, and packing arrangements . The text continues to discuss the theoretical and practical aspects of soil structure and explain the significance and measurement of bulk density, porosity, and compaction. The authors proceed to clarify soil hydrology topics including hydrologic cycle, water movement, infiltration, modeling, soil evaporation, and solute transport processes. They address the impact of soil temperature on crop growth, soil aeration, and the processes that lead to the emission of greenhouse gases. The final chapters examine the physical properties of gravelly soils and water movement in frozen, saline, and water-repellant soils. Reader-friendly and up-to-date, Principles of Soil Physics provides unparalleled coverage of issues related to soil physics, structure, hydrology, aeration, temperature, and analysis and presents practical techniques for maintaining soil quality to ultimately preserve its sustainability.

This book presents contributions on a wide range of computational research applied to fields ranging from molecular systems to bulk structures. This volume highlights current trends in modern computational chemistry and discusses the development of theoretical methodologies, state-of-the-art computational algorithms and their practical applications. This volume is part of a continuous effort by the editors to document recent advances by prominent researchers in the area of computational chemistry. Most of the chapters are contributed by invited speakers and participants to International annual conference "Current Trends in Computational Chemistry", organized by Jerzy Leszczynski, one of the editors of the current volume. This conference series has become an exciting platform for eminent theoretical and computational chemists to discuss their recent findings and is regularly honored by the presence of Nobel laureates. Topics covered in the book include reactive force-field methodologies, coarse-grained modeling, DNA damage radiosensitizers, modeling and simulation of surfaces and interfaces, non-covalent interactions, and many others. The book is intended for theoretical and computational chemists, physical chemists, material scientists and those who are eager to apply computational chemistry methods to problems of chemical and physical importance. It is a valuable resource for undergraduate, graduate and PhD students as well as for established researchers.