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Author: Takayuki Fueno Publisher: CRC Press ISBN: 1000725294 Category : Science Languages : en Pages : 348
Book Description
The transition state is the critical configuration of a reaction system situated at the highest point of the most favorable reaction path on the potential-energy surface, its characteristics governing the dynamic behavior of reacting systems decisively. This text presents an accurate survey of current theoretical investigations of chemical reactions, with a focus on the nature of the transition state. Its scope ranges from general basic theories associated with the transition states, to their computer-assisted applications, through to a number of reactions in a state-of-the-art fashion. It covers various types of gas-phase elementary reactions, as well as some specific types of chemical processes taking place in the liquid phase. Also investigated is the recently developing transition state spectroscopy. This text will not only serve as a contemporary reference book on the concept of the transition state, but will also assist the readers in gaining valuable key principles regarding the essence of chemical kinetics and dynamics.
Author: Takayuki Fueno Publisher: CRC Press ISBN: 1000725294 Category : Science Languages : en Pages : 348
Book Description
The transition state is the critical configuration of a reaction system situated at the highest point of the most favorable reaction path on the potential-energy surface, its characteristics governing the dynamic behavior of reacting systems decisively. This text presents an accurate survey of current theoretical investigations of chemical reactions, with a focus on the nature of the transition state. Its scope ranges from general basic theories associated with the transition states, to their computer-assisted applications, through to a number of reactions in a state-of-the-art fashion. It covers various types of gas-phase elementary reactions, as well as some specific types of chemical processes taking place in the liquid phase. Also investigated is the recently developing transition state spectroscopy. This text will not only serve as a contemporary reference book on the concept of the transition state, but will also assist the readers in gaining valuable key principles regarding the essence of chemical kinetics and dynamics.
Author: R. Gandour Publisher: Springer Science & Business Media ISBN: 1468499785 Category : Science Languages : en Pages : 625
Book Description
The transItIOn-state theory has been, from the point of its inception, the most influential principle in the development of our knowledge of reaction mechanisms in solution. It is natural that as the field of biochemical dynamics has achieved new levels of refinement its students have increasingly adopted the concepts and methods of transition-state theory. Indeed, every dynamical problem of biochemistry finds its most elegant and economical statement in the terms of this theory. Enzyme catalytic power, for example, derives from the interaction of enzyme and substrate structures in the transition state, so that an understanding of this power must grow from a knowledge of these structures and interactions. Similarly, transition-state interactions, and the way in which they change as protein structure is altered, constitute the pivotal feature upon which molecular evolution must turn. The complete, coupled dynamical system of the organism, incorporating the transport of matter and energy as well as local chemical processes, will eventually have to yield to a description of its component transition-state structures and their energetic response characteristics, even if the form of the description goes beyond present-day transition-state theory. Finally, the importance of biochemical effectors in medicine and agriculture carries the subject into the world of practical affairs, in the use of transition-state information for the construction of ultra potent biological agents.
Author: Jan H. Jensen Publisher: CRC Press ISBN: 1420075276 Category : Science Languages : en Pages : 192
Book Description
Molecular modeling is becoming an increasingly important part of chemical research and education as computers become faster and programs become easier to use. The results, however, have not become easier to understand. Addressing the need for a "workshop-oriented" book, Molecular Modeling Basics provides the fundamental theory needed to understand
Author: Laurel E. Miller Publisher: US Institute of Peace Press ISBN: 1601270550 Category : History Languages : en Pages : 737
Book Description
Analyzing nineteen cases, this title offers practical perspective on the implications of constitution-making procedure, and explores emerging international legal norms.
Author: Philippe Compain Publisher: John Wiley & Sons ISBN: 9780470517444 Category : Medical Languages : en Pages : 482
Book Description
Iminosugars form undoubtedly the most attractive of carbohydrate mimics reported so far. In these structures, the substitution of the endocyclic oxygen of sugars by a basic nitrogen atom leads to remarkable biological properties and raises many challenges in organic synthesis. Since the discovery of their biological activity as glycosidase inhibitors in the 1970’s, these polyvalent molecules have progressively made their way from the laboratory to the clinic. The impressive series of discoveries in the field over the past ten years indicates clearly that it is “a boom time” for iminosugar chemistry and biology. The scope of their profile as inhibitors has been extended to a number of enzymes such as phosphorylases, glycosyltransferases or metalloproteinases, and iminosugars now constitute lead compounds for the development of new therapeutic agents for a wide range of diseases including diabetes, viral infections, lysosomal storage disorders and tumor metastasis. Latest developments, from iminosugar synthesis to their use in clinical studies, are presented in this book, which contains contributions from over fifteen of the major chemists, biochemists and drug developers in this rapidly expanding field. An extensive table correlating the structures of more than 600 iminosugars of therapeutic interest with their biological activities is also included in the book and should prove particularly useful to aid with the design and the discovery of novel bioactive substances. Iminosugars: From Synthesis to Therapeutic Application provides a unique resource for academic and industrial researchers working in the field of iminosugars and glycomimetics of biological and/or therapeutic interest: organic chemists, medicinal chemists, carbohydrate chemists and medical scientists.
Author: Xiaoping Sun Publisher: John Wiley & Sons ISBN: 111961886X Category : Science Languages : en Pages : 528
Book Description
This book helps readers move from fundamental organic chemistry principles to a deeper understanding of reaction mechanisms. It directly relates sophisticated mechanistic theories to synthetic and biological applications and is a practical, student-friendly textbook. Presents material in a student-friendly way by beginning each chapter with a brief review of basic organic chemistry, followed by in-depth discussion of certain mechanisms Includes end-of-chapter questions in the book and offers an online solutions manual along with PowerPoint lecture slides for adopting instructors Adds more examples of biological applications appealing to the fundamental organic mechanisms Presents material in a student-friendly way by beginning each chapter with a brief review of basic organic chemistry, followed by in-depth discussion of certain mechanisms Includes end-of-chapter questions in the book and offers an online solutions manual along with PowerPoint lecture slides for adopting instructors Adds more examples of biological applications appealing to the fundamental organic mechanisms
Author: Ian W. M. Smith Publisher: World Scientific ISBN: 184816209X Category : Science Languages : en Pages : 578
Book Description
This book brings together, for the first time, the results of recent research in areas ranging from the chemistry of cold interstellar clouds (10-20 K), through laboratory studies of the spectroscopy and kinetics of ions, radicals and molecules, to studies of molecules in liquid helium droplets, to attempts to create molecular (as distinct from atomic) Bose-Einstein condensates.
Author: Arthur S. Wightman Publisher: Springer ISBN: 3642590330 Category : Science Languages : en Pages : 463
Book Description
The fourth volume of the Collected Works is devoted to Wigners contribution to physical chemistry, statistical mechanics and solid-state physics. One corner stone was his introduction of what is now called the Wigner function, while his paper on adiabatic perturbations foreshadowed later work on Berry phases. Although few in number, Wigners articles on solid-state physics laid the foundations for the modern theory of the electronic structure of metals.
Author: Luc De Raedt Publisher: Springer ISBN: 354078652X Category : Computers Languages : en Pages : 341
Book Description
This book provides an introduction to probabilistic inductive logic programming. It places emphasis on the methods based on logic programming principles and covers formalisms and systems, implementations and applications, as well as theory.
Author: Takayuki Fueno
Author: Takayuki Fueno
Author: R. Gandour
Author: Jan H. Jensen
Author: Laurel E. Miller
Author: Philippe Compain
Author: Xiaoping Sun
Author: Ian W. M. Smith
Author: Don Wesley Arnold
Author: Arthur S. Wightman
Author: Luc De Raedt