Lowe's new edition assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry. It can serve as a primary text in quantum chemistry courses, and enables students and researchers to comprehend the current literature. This third edition has been thoroughly updated and includes numerous new exercises to facilitate self-study and solutions to selected exercises.
* Assumes little initial mathematical or physical sophistication, developing insights and abilities in the context of actual problems
* Provides thorough treatment of the simple systems basic to this subject
* Emphasizes UNDERSTANDING of the techniques and results of modern quantum chemistry
* Treats MO theory from simple Huckel through ab intio methods in current use
* Develops perturbation theory through the topics of orbital interaction as well as spectroscopic selection rules
* Presents group theory in a context of MO applications
* Includes qualitative MO theory of molecular structure, Walsh rules, Woodward-Hoffmann rules, frontier orbitals, and organic reactions
develops MO theory of periodic systems, with applications to organic polymers.

This book presents the design and development of an Internet of Things (IoT) enabled, smart sensor to detect nitrate contamination in natural water. It considers three different sensors designed, fabricated and configured for nitrate detection: a Graphite/PDMS and Si-based MEMS sensors, and aFR4-based sensor. It also introduces a selective polymer material developed by means of the ion imprinting polymerization technique that was used as a coating on the Si-based MEMS sensor. Further, the book discusses the development of a smart sensing system that can be used to remotely monitor the nitrate concentration in any water. Fully explaining all the techniques used, the book is of interest to engineers, researchers and scientists working in the field of the water-quality measurement.

This book discusses fundamentally new biomedical imaging methods, such as holography, holographic and resonant interferometry, and speckle optics. It focuses on the development of holographic interference microscopy and its use in the study of phase objects such as nerve and muscle fibers subjected to the influence of laser radiation, magnetic fields, and hyperbaric conditions. The book shows how the myelin sheath and even the axon itself exhibit waveguide properties, enabling a fresh new look at the mechanisms of information transmission in the human body. The book presents theoretically and experimentally tested holographic and speckle-optical methods and devices used for investigating complex, diffusely scattering surfaces such as skin and muscle tissue. Additionally, it gives broad discussion of the authors' own original fundamental and applied research dedicated to helping physicians introduce new contact-less methods of diagnosis and treatment of diseases of the cardiovascular and neuromuscular systems into medical practice. The book is aimed at a broad spectrum of scientific specialists in the fields of speckle optics, holography, laser physics, morphology and cytochemistry, as well as medical professionals such as physiologists, neuropathologists, neurosurgeons, cardiologists and dentists.

This book presents developments of novel techniques and applies them in order to understand the interactions between thermally driven mesoscale flows (sea and mountain breezes) and the turbulent exchange within the atmospheric boundary layer. These interactions are not accurately reproduced in the meteorological models currently employed for weather forecasting. Consequently, important variables such as air temperature and wind speed are misrepresented. Also, the concentrations of relevant greenhouse gases such as CO2 are considerably affected by these interactions. By applying a systematic algorithm based on objective criteria (presented here), the thesis explores complete observational databases spanning up to 10 years. Further, it presents statistically significant and robust results on the topic, which has only been studied in a handful of cases in the extant literature. Lastly, by applying the algorithm directly to the outputs of the meteorological model, the thesis helps readers understand the processes discussed and reveals the biases in such models.

This textbook provides an accessible introduction to physics for undergraduate students in the life sciences, including those majoring in all branches of biology, biochemistry, and psychology and students working on pre-professional programs such as pre-medical, pre-dental, and physical therapy. The text is geared for the algebra-based physics course, often named College Physics in the United States. The order of topics studied are such that most of the problems in the text can be solved with the methods of Statics or Dynamics. That is, they require a free body diagram, the application of Newton’s Laws, and any necessary kinematics. Constructing the text with a standardized problem-solving methodology, simplifies this aspect of the course and allows students to focus on the application of physics to the study of biological systems. Along the way, students apply these techniques to find the tension in a tendon, the sedimentation rate of red blood cells in haemoglobin, the torques and forces on a bacterium employing a flagellum to propel itself through a viscous fluid, and the terminal velocity of a protein moving in a Gel Electrophoresis device. This is part one of a two-volume set; volume 2 introduces students to the conserved-quantities and applies these problem-solving techniques to topics in Thermodynamics, Electrical Circuits, Optics, and Atomic and Nuclear Physics always with continued focus on biological applications.

Selenium and Tellurium Reagents provides an in-depth overview of recent advances on the chemistry of these elements. Written by internationally recognized experts, it gives insight into the synthesis, structure, analysis and mechanistic studies of these compounds. The book is organized into four parts which reflect the applications of Se and Te reagents in four areas: inorganic chemistry, organic chemistry, materials science and biochemistry.

This book introduces readers to the latest advances in G protein-coupled receptor (GPCR) biology. It reviews our current understanding of the structural basis of ligand binding and allosteric mechanisms, following a decade of technological breakthroughs. Several examples of structure-based drug discovery are presented, together with the future challenges involved in designing better drugs that target GPCRs. In turn, the book illustrates the important concept of GPCR biased signaling in physiological contexts, and presents fluorescent- and light-based methodologies frequently used to measure GPCR signaling or to trace their dynamics in cells upon ligand activation. Taken together, the chapters provide an essential overview and toolkit for new scientific investigators who plan to develop GPCR projects. All chapters were written by experts in their respective fields, and share valuable insights and powerful methodologies for the GPCR field.

Electrophoresis is a straightforward but informative analytical method used in biochemistry, biology and medicine. This book combines a detailed discussion of theory and technical application with an elaborate section on troubleshooting and problem solving in electrophoresis. Therefore the book is an important guide for both students and scientists.

This book highlights the fundamentals of ferrites and multiferroic materials with special attention to their structure, types, and properties. It presents a comprehensive survey about ferrite and multiferroic materials, in areas significant to research and development in academia as well as in industry. The book discusses various types of methods applied for their synthesis and characterizations. This book is concerned with the fascinating class of materials with the promise for wide-ranging applications, including electromagnets, magnetic fluid hyperthermia, antenna applications, memory devices, switching circuits, bio-medical applications, actuators, magnetic field sensors and water purification, etc.

This book provides a comprehensive overview of the nitrilimine 1,3-dipole, from its initial discovery in 1959 to the most recent publications. Covering topics such as the core properties of the dipole and the various methods of synthesis available, it particularly highlights the diverse reactivity profile of the nitrilimine and its numerous applications in bioorthogonal and materials chemistry. The book is of interest to academic and industrial researchers working in this area and to those new to the field.

This book offers a pragmatic guide to navigating through the complex maze of EPR/ESR spectroscopy fundamentals, techniques, and applications. Written for the scientist who is new to EPR spectroscopy, the editors have prepared a volume that de-mystifies the basic fundamentals without weighting readers down with detailed physics and mathematics, and then presents clear approaches in specific application areas. The first part presents basic fundamentals and advantages of electron paramagnetic resonance spectrscopy. The second part explores severalapplication areas including chemistry, biology, medicine, materials and geology. A frequently-asked-questions sections focuses on practicalquestions, such as the size of sample, etc. It's an ideal, hands-on reference for chemists and researchers in the pharmaceutical and materials (semiconductor) industries who are looking for a basic introduction to EPR spectroscopy.

This book introduces recent progress in preparation and application of core-shell and yolk-shell structures for attractive design of catalyst materials. Core-shell nanostructures with active core particles covered directly with an inert shell can perform as highly active and selective catalysts with long lifetimes. Yolk-shell nanostructures consisting of catalytically active core particles encapsulated by hollow materials are an emerging class of nanomaterials. The enclosed void space is expected to be useful for encapsulation and compartmentation of guest molecules, and the outer shell acts as a physical barrier to protect the guest molecules from the surrounding environment. Furthermore, the tunability and functionality in the core and the shell regions can offer new catalytic properties, rendering them attractive platform materials for the design of heterogeneous catalysts. This book describes the recent development of such unique nanostructures to design effective catalysts which can lead to new chemical processes. It provides an excellent guide for design and application of core-shell and yolk-shell structured catalysts for a wide range of readers working on design of attractive catalysts, photocatalysts, and electrocatalysts for energy, environmental, and green chemical processes.

The textile waste water is well known to contain many detrimental impacts in terms of its pollutants and the issues pertaining to its discharged without being untreated, or even discharged without meeting all stipulated parameters. There is an ample amount of advancements in treating textile waste water in a sustainable way and this book comprehends the same with eight insightful chapters. The aim of this book is to deal with the advances in sustainable waste water treatments with topics Conjugated Polymer Coated Novel Bio-adsorbents for Wastewater Treatment , Advanced Oxidation Processes (AOP) - Effective innovative treatment methods to degrade textile dye effluent, etc.

Micro-Raman Spectroscopy introduces readers to the theory and application of Raman microscopy. Raman microscopy is used to study the chemical signature of samples with little preperation in a non-destructive manner. An easy to use technique with ever increasing technological advances, Micro-Raman has significant application for researchers in the fields of materials science, medicine, pharmaceuticals, and chemistry.

As a spectroscopic method, nuclear magnetic resonance (NMR) has seen spectacular growth, both as a technique and in its applications. Today's applications of NMR span a wide range of scientific disciplines, from physics to biology to medicine. Each volume of Nuclear Magnetic Resonance comprises a combination of annual and biennial reports which together provide comprehensive coverage of the literature on this topic. This Specialist Periodical Report reflects the growing volume of published work involving NMR techniques and applications, in particular NMR of natural macromolecules, which is covered in two reports: NMR of Proteins and Nucleic Acids and NMR of Carbohydrates, Lipids and Membranes. In his foreword to the first volume, the then editor, Professor Robin Harris announced that the series would be a discussion on the phenomena of NMR and that articles will be critical surveys of the literature. This has certainly remained the case throughout the series, and in line with its predecessors, Volume 40 aims to provide a comprehensive coverage of the relevant NMR literature. For the current volume this relates to publications appearing between June 2009 and May 2010 (the nominal period of coverage in volume 1 was July 1970 to June 1971). Compared to the previous volume there are some new members of the reporting team. Theoretical Aspects of Spin-Spin Couplings are covered by J. Jazwinski, while E. Swiezewska and J.Wojcik provide an account of NMR of Carbohydrates, Lipids and Membranes.

This elegant book provides a student-friendly introduction to the subject of physical chemistry. It is concise and more compact than standard textbooks on the subject and it emphasises the two important concepts underpinning physical chemistry: quantum mechanics and the second law of thermodynamics. The principles are challenging to students because they both focus on uncertainty and probability. The book explains these fundamental concepts clearly and shows how they offer the key to understanding the wide range of chemical phenomena including atomic and molecular spectra, the structure and properties of solids, liquids and gases, chemical equilibrium, and the rates of chemical reactions.

The book reviews photosynthetic water oxidation and proton-coupled electron transfer in photosystem, focusing on the molecular vibrations of amino acid residues and water molecules. Photosynthetic water oxidation performed by plants and cyanobacteria is essential for the sustenance of life on Earth, not only as an electron source for synthesizing sugars from CO2, but also as an O2 source in the atmosphere. Water oxidation takes place at the Mn4CaO5 cluster in photosystem II, where a series of electron transfer reactions coupled with proton transfer occur using light energy. The author addresses the unresolved mechanisms of photosynthetic water oxidation and relevant proton-coupled electron transfer reactions using a combined approach of experimental and computational methods such as Fourier transform infrared difference spectroscopy and quantum chemical calculations. The results show that protonation and hydrogen-bond structures of water molecules and amino acid residues in the protein play important roles in regulation of the electron and proton transfer reactions. These findings and the methodology make a significant contribution to our understanding the molecular mechanism of photosynthetic water oxidation.