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Advances in the Theory of Quantum Systems in Chemistry and Physics is a collection of 32 selected papers from the scientific contributions presented at the 15th International Workshop on Quantum Systems in Chemistry and Physics (QSCP-XV), held at Magdalene College, Cambridge, UK, from August 31st to September 5th, 2010. This volume discusses the state of the art, new trends, and the future of methods in molecular quantum mechanics and their applications to a wide range of problems in chemistry, physics, and biology.
Janet Lau’s thesis describes her studies into the use of phthalocyanine-based photosensitizers in combined chemo- and photodynamic therapy (PDT) and targeted PDT. In order to carry out this study, Lau uses several approaches: conjugation with a chemotherapeutic oxaliplatin derivative, use of a polyamine ligand 2 with a view to targeting the polyamine transporters over-expressed in tumor cells, and employment of a quencher that can inhibit their photodynamic activity but can still be removed under a tumor-associated environment such as low pH and high thiol concentration.
The inspiration for this book came from an American Carbon Society Workshop entitled "Carbon Materials for Advanced Technologies" which was hosted by the Oak Ridge National Laboratory in 1994. Chapter 1 contains a review of carbon materials, and emphasizes the structure and chemical bonding in the various forms of carbon, including the four allotropes diamond, graphite, carbynes, and the fullerenes. In addition, amorphous carbon and diamond films, carbon nanoparticles, and engineered carbons are discussed.
The audience for this thorough overview includes advanced undergraduates and postgraduate researchers in macromolecular sciences who can benefit from more familiarity with the use of X-ray diffraction for obtaining structural information on biological substances, natural and synthetic high polymeric materials.
This book is the latest addition to the highly regarded food colloid series and is of relevance to those working and researching in food science and surface and colloid science.
Authors: Skeby, Katrine KirkebyNominated as an outstanding PhD thesis by Aarhus University, DenmarkProvides a comprehensive review of the general amyloid literature, in particular that on human islet amyloid polypeptideIncludes detailed illustrations, which significantly aid in the understanding of amyloid proteins and the research presentedCombines theoretical and experimental research to deliver a high-impact, high-quality contributionThis thesis offers readers a comprehensive introduction to amyloid proteins and the computational methods used with them.
With its easy-to-read approach and focus on core topics, Physical Chemistry, 2e provides a concise, yet thorough examination of calculus-based physical chemistry. The Second Edition, designed as a learning tool for students who want to learn physical chemistry in a functional and relevant way, follows a traditional organization and now features an increased focus on thermochemistry, as well as new problems, new two-column examples, and a dynamic new four-color design. Written by a dedicated chemical educator and researcher, the text also includes a review of calculus applications as applied to physical chemistry.
A broad, almost encyclopedic overview of spectroscopic and other analytical techniques useful for investigations of phase boundaries in electrochemistry is presented. The analysis of electrochemical interfaces and interphases on a microscopic, even molecular level, is of central importance for an improved understanding of the structure and dynamics of these phase boundaries. The gained knowledge will be needed for improvements of methods and applications reaching from electrocatalysis, electrochemical energy conversion, biocompatibility of metals, corrosion protection to galvanic surface treatment and finishing.
This book shows that the strong interaction forces, which keep hadrons and nuclei together, are relativistic gravitational forces exerted between very small particles in the mass range of neutrinos. First, this book considers the motion of two or three charged particles under the influence of electrostatic and gravitational forces only, which shows that bound states are formed by following the same semi-classical methodology used by Bohr to describe the H atom. This approach is also coupled with Newton’s gravitational law and with Einstein’s special relativity.
The study of surfaces has experienced dramatic growth over the past decade. Now, the editors of the internationally celebrated series Advances in Chemical Physics have brought together in this self-contained, special topic volume contributions from leading researchers in the field treating some of the most crucial aspects of the experimental and theoretical study of surfaces. This work delves into such core issues as: Kinetics and dynamics of hydrogen adsorption on silicon surfaces. Potential energy surfaces of transition- metal-catalyzed chemical reactions.
Discover the many new and emerging applications of supercritical water as a green solventDrawing from thousands of original research articles, this book reviews and summarizes what is currently known about the properties and uses of supercritical water. In particular, it focuses on new and emerging applications of supercritical water as a green solvent, including the catalytic conversion of biomass into fuels and the oxidation of hazardous materials.Supercritical Water begins with an introduction that defines supercritical fluids in general.
This is the perfect complement to "Chemical Bonding – Across the Periodic Table" by the same editors, who are two of the top scientists working on this topic, each with extensive experience and important connections within the community.The resulting book is a unique overview of the different approaches used for describing a chemical bond, including molecular-orbital based, valence-bond based, ELF, AIM and density-functional based methods. It takes into account the many developments that have taken place in the field over the past few decades due to the rapid advances in quantum chemical models and faster computers.
This book helps advanced undergraduate, graduate and postdoctoral students in their daily work by offering them a compendium of numerical methods. The choice of methods pays significant attention to error estimates, stability and convergence issues as well as to the ways to optimize program execution speeds. Many examples are given throughout the chapters, and each chapter is followed by at least a handful of more comprehensive problems which may be dealt with, for example, on a weekly basis in a one- or two-semester course.
Surface tension provides a thermodynamic avenue for analyzing systems in equilibrium and formulating phenomenological explanations for the behavior of constituent molecules in the surface region. While there are extensive experimental observations and established ideas regarding desorption of ions from the surfaces of aqueous salt solutions, a more successful discussion of the theory has recently emerged, which allows the quantitative calculation of the distribution of ions in the surface region.
This book should be read by academics and industrialists at all levels, to encourage wider applications of the use of hydrogen peroxide in laboratories.
Electrochromic materials, both organic and inorganic, have widespread applications in light-attenuation, displays and analysis. Written in an accessible manner, this book provides a comprehensive treatment of all types of electrochromic systems and their many applications. Coverage develops from electrochromic scope and history to new searching presentations of optical quantification and theoretical mechanistic models. Non-electrode electrochromism and photo-electrochromism are summarised, with updated comprehensive reviews of electrochromic oxides (tungsten-trioxide particularly), metal co-ordination complexes and metal-cyanometallates, viologens and other organics; and more recent exotics such as fullerenes, hydrides, and conjugated electroactive polymers are also covered.
Modeling Chemical Systems using Cellular Automata provides a practical introduction to an exciting modeling paradigm for complex systems. The book first discusses the nature of scientific inquiry using models and simulations, and then describes the nature of cellular automata models.
Perspectives in Supramolecular Chemistry will relate recent developments and new exciting approaches in supramolecular chemistry. In supramolecular chemistry, our aim is to understand the molecular chemistry beyond the covalent bond the series will concentrate on goal-orientated supramolecular chemistry.
A modern introduction to the subject taking a unique integrated approach designed to appeal to both science and engineering students. Covering a broad spectrum of topics, this book includes numerous up–to–date examples of real materials with relevant applications and a modern treatment of key concepts. The science bias allows this book to be equally accessible to engineers, chemists and physicists. ∗ Carefully structured into self–contained bite–sized chapters to enhance student understanding ∗ Questions have been designed to reinforce the concepts presented ∗ Includes coverage of radioactivity ∗ Relects a rapidly growing field from the science perspective
Using new instrumentation and experimental techniques that allow scientists to observe chemical reactions and molecular properties at the nanoscale, the authors of Surface and Nanomolecular Catalysis reveal new insights into the surface chemistry of catalysts and the reaction mechanisms that actually occur at a molecular level during catalysis.
Making a clear distinction is made between nano- and micro-mechanical testing for physical reasons, this monograph describes the basics and applications of the supermicroscopies AFM and SNOM, and of the nanomechanical testing on rough and technical natural surfaces in the submicron range down to a lateral resolution of a few nm.
Exploring and highlighting the new horizons in the studies of reaction mechanisms that open joint application of experimental studies and theoretical calculations is the goal of this book. The latest insights and developments in the mechanistic studies of organometallic reactions and catalytic processes are presented and reviewed. The book adopts a unique approach, exemplifying how to use experiments, spectroscopy measurements, and computational methods to reveal reaction pathways and molecular structures of catalysts, rather than concentrating solely on one discipline.
This book contains selected values of the thermochemical properties of well over 3000 mostly inorganic substances. Values are given for enthalpy of formation and entropy at 298 K. Using the compiled fixed Cp values or the Cp/T functions in the form of a polynomial, the enthalpy, entropy, and Gibbs free energy values at other temperatures can be calculated.
The Nobel Prize of 1986 on Sc- ning Tunneling Microscopy sig- led a new era in imaging. The sc- ning probes emerged as a new i- trument for imaging with a pre- sion suf?cient to delineate single atoms. At ?rst there were two – the Scanning Tunneling Microscope, or STM, and the Atomic Force Mic- scope, or AFM. The STM relies on electrons tunneling between tip and sample whereas the AFM depends on the force acting on the tip when it was placed near the sample. These were quickly followed by the – gneticForceMicroscope,MFM,and the Electrostatic Force Microscope, EFM.
Showing 1–24 of 57 results