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Practical Aspects of Computational Chemistry
"Practical Aspects of Computational Chemistry" presents contributions on a range of aspects of Computational Chemistry applied to a variety of research fields. The chapters focus on recent theoretical developments which have been used to investigate structures and properties of large systems with minimal computational resources. Studies include those in the gas phase, various solvents, various aspects of computational multiscale modeling, Monte Carlo simulations, chirality, the multiple minima problem for protein folding, the nature of binding in different species and dihydrogen bonds, carbon nanotubes and hydrogen storage, adsorption and decomposition of organophosphorus compounds, X-ray crystallography, proton transfer, structure-activity relationships, a description of the REACH programs of the European Union for chemical regulatory purposes, reactions of nucleic acid bases with endogenous and exogenous reactive oxygen species and different aspects of nucleic acid bases, base pairs and base tetrads.
Molecular Recognition and Inclusion
This volume presents articles on the developing field of molecular interactions, molecular recognition, crystal engineering, and structural determination of complex molecular systems. The approaches described are interdisciplinary in nature, reflecting the concept of the ISMRI series of symposia.
Molecular and Structural Archaeology: Cosmetic and Therapeutic Chemicals
This book delineates the contours of molecular and structural archaeology as an emergent interdisciplinary field based on structural analysis at the molecular level and examines novel methodologies to reconstruct the synthesis and long-term transformation of materials used in antiquity. The focus of this volume is on cosmetic and therapeutic materials.
The Etruscans and the History of Dentistry
The Etruscans and the History of Dentistry offers a study of the construction and use of gold dental appliances in ancient Etruscan culture, and their place within the framework of a general history of dentistry, with special emphasis on appliances, from Bronze Age Mesopotamia and Egypt to modern Europe and the Americas. Included are many of the ancient literary sources that refer to dentistry - or the lack thereof - in Greece and Rome, as well as the archaeological evidence of ancient dental health. The book challenges many past works in exposing modern scholars’ fallacies about ancient dentistry, while presenting the incontrovertible evidence of the Etruscans’ seemingly modern attitudes to cosmetic dentistry.
Fundamental and Biomedical Aspects of Redox Processes
Redox processes represent a major advancement in water treatment technology and have other applications across environmental and technological contexts. Redox processes must be studied further to ensure they are utilized appropriately. Fundamental and Biomedical Aspects of Redox Processes accumulates new knowledge regarding the essence of the oxidation-reduction processes, the justification of key mechanisms, and the discovery of new aspects of methods of controlling redox reactions. Covering key topics such as wastewater treatment, soil, natural waters, and chemistry, this reference work is ideal for industry professionals, scientists, researchers, academicians, scholars, practitioners, instructors, and students.
Encyclopedia of Supramolecular Chemistry
Covers the fundamentals of supramolecular chemistry; supramolecular advancements and methods in the areas of chemistry, biochemistry, biology, environmental and materials science and engineering, physics, computer science, and applied mathematics.
Inclusion Phenomena in Inorganic, Organic, and Organometallic Hosts
The contents of this volume originate from the joint Inclusion Phenomenal Cyclodextrins Symposium held at Lancaster in July 1986. Consisting of 50 extended ab stracts and 21 original contributions, the reader will find an up-to-date survey of the current state of research into, and applications of, inclusion compounds. Topics covered range from cyclodextrin complexes and their use as media for selective chemical reagents and their applications in chromatography and in the pharmaceutical and agricultural areas; the synthesis of new hosts, particularly those containing hydrophobic cavities; the characterisation of inclusion compounds using crystallographic and spectroscopic techniques; the use...
Current Challenges on Large Supramolecular Assemblies
The objectives of the ARW were: - identifying areas and highlighting approaches by which large Supramolecular (SM) Assemblies can be synthesised - reviewing and combining methods to characterise and analyse such assemblies. The first part of the ARW is devoted to reviewing synthetic achievements in recent years for several families of SM compounds, and to bringing out principles for crystal structure design, including novel quantum mechanical methods. Synthesis pertains both to the chemical synthesis of components for SM assembly, and to the subsequent assembly process based on complementarity and non-covalent interactions. The elaboration of multiple recognition "algorithms" concurrently em...
Handbook of Research on Water Sciences and Society
Water supports three basic pillars of our life and survival: safety, security, and sustainability. Hence, it is extremely important to revisit the fundamental characteristics of water in order to discover additional information and the characteristics water has that will help uncover pathways to support the United Nations Sustainable Development Goals (UN SDG) to reduce inequality and make cities and human settlements more inclusive, safe, resilient, and sustainable. Clean water is a critical component to meet such goals. While the fundamental physical and chemical properties of water continue to reveal new aspects, it is critical that we review these properties in the context of several rec...
Mechanics of the 21st Century
"This volume ... consists of a book with full texts of invited talks and attached CD-ROM with Extended Summaries of 1225 papers presented during the Congress"--p. x.
