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Radical Ionic Systems
It is now more than 20 years since the book "Radical Ions" edited by Kaiser and Kevan appeared. It contained aspects regarding generation, identification, spin density determination and reactivity of charged molecules with an odd number of electrons. New classes of reactive ion radicals have been detected and characterised since then, most notably cation radicals of saturated organic compounds. Trapping of electrons has been found to occur not only in frozen glasses but also in organic crystals. The structure and reactions of anion radicals of saturated compounds have been clarified during the last 20 years. We have asked leading experts in the field to write separate chapters about cation radicals, anion radicals and trapped electrons as well as more complex systems of biological or technological interest. More attention is paid to recent studies of the ions of saturated compounds than to the older and previously reviewed work on aromatic ions. In the case of trapped electrons full coverage is out of the question, and focus is on recent efforts to characterise the solvation structure in ordered and disordered systems.
Advances in Heterocyclic Chemistry
Advances in Heterocyclic Chemistry
Stochastic Mechanics of Discrete Media
For the past three decades the mechanics of structured media, frequently called micromechanics, has been recognized as an important new approach in the analysis of material behaviour. This book discusses the modern use of mathematical analysis to the stochastic mechanics of discrete media. The theoretical study is therefore based on set and measure theory and the application of point processes.
A General SCF Theory
We live in a molecular world, almost closed shell in nature, and for this reason Chemistry has been a science dealing with closed shell mol ecules. However, the high degree of experimental sophistication reached in the past decade has made more apparent the role of open shell structures in chemical research. A parallel phenomenon can be observed in the development of SCF theory, where closed shell molecular calculations at any level of complexity compose the main body of references which can be obtained in Quantum Chemistry today. Besides the linkage between experimental and theoretical behaviour, there are, obviously, other reasons which can be attached to a lack of molecular open shell cal...
Electrochemistry of Biological Molecules
Electrochemistry of Biological Molecules presents a fairly complete summary of the electrochemistry of the more important groups of nitrogen heterocyclic molecules including purines and pyrimidines and their nucleosides and nucleotides, polynucleotides and nucleic acids, pteridines, flavins, pyrroles, porphyrins, and pyridines. Topics covered range from the theory and instrumentation of electrochemistry to various biological molecules, including pteridines, isoalloxazines, flavins, and flavin nucleotides. Comprised of nine chapters, this book begins with an overview of electrochemical techniques and their use to study biological materials, followed by a discussion on the theory and instrumentation of electrochemistry, with emphasis on their significance and utility as well aa their principles and circuits. Subsequent chapters explore nitrogen heterocyclic molecules such as purines and pyrimidines and their nucleosides and nucleotides, polynucleotides and nucleic acids, pteridines, flavins, pyrroles, porphyrins, and pyridines. The electrochemistry of biologically important pyridines is considered. This monograph should be of value to electrochemists, biochemists, and biologists.
Organic Spectroscopy
Though the format evolved in the first edition remains intact, relevant new additions have been inserted at appropriate places in various chapters of the book. Also included are a number of sample and study problems at the end of each chapter to illustrate the approach to problem solving that involve translations of sets of spectra into chemical structures. Written primarily to stimulate the interest of students in spectroscopy and make them aware of the latest developments in this field, this book begins with a general introduction to electromagnetic radiation and molecular spectroscopy. In addition to the usual topics on IR, UV, NMR and Mass spectrometry, it includes substantial material on the currently useful techniques such as FT-IR, FT-NMR 13C-NMR, 2D-NMR, GC/MS, FAB/MS, Tendem and Negative Ion Mass Spectrometry for students engaged in advanced studies. Finally it gives a detailed account on Optical Rotatory Dispersion (ORD) and Circular Dichroism (CD).
Topics In Organic Polarography
Even though the nwnber of requests for reprints and the number of quotations in the Science Citation Index has indicated an ever-increasing interest in topics of organic polarography, I have often felt that the reason that some work is less known may well be because the papers were published in less accessible journals. Therefore, I was pleased when I was asked to prepare a selection of my papers on organic polarography for reprinting. This collection of papers may indicate some of the possibilities offered by polarography in the study of properties of organic compounds. The fact that the papers are published in one volume, not only makes the information more easily accessible for the reader, but also enables a direct comparison of related topics. The mode of selection is discussed in the Introduction. The papers reprinted in this volume are mostly based on work carried out in the J. Heyrovsky Institute of Polarography of the Czechoslovak Academy of Sciences in Prague, in cooperation with my co-workers. I would like to take this opportunity of thanking all of them for the pleasure I got from this cooperation on the solution of varying problems of organic electrochemistry .
Molecular Orbitals and their Energies, Studied by the Semiempirical HAM Method
This treatment of molecular and atomic physics is primarily meant as a textbook. It is intended for both chemists and physicists. ·It can be read without much knowledge of quantum mechanics or mathematics, since all such details are explained-. It has developed through a series of lectures at the Royal Institute of Technology. The content is to about 50 % theoretical and to 50 % experimental. The reason why the authors, who are experimentalists, went into theory is the following. When we during the beginning of the 1970's measured photo electron spectra of organic molecules, it appeared to be impossible to understand them by use of available theoretical calculations. To handle hydrocarbons ...
Computational Chemistry
This book presents an overview of recent progress in computational techniques as well as examples of the application of existing computational methods in different areas of chemistry, physics, and biochemistry. Introductory chapters cover a broad range of fundamental topics, including: state-of-the-art basis set expansion methods for computing atomic and molecular electronic structures based on the use of relativistic quantum mechanics; the most recent developments in Hartree-Fock methods, particularly in techniques suited for very large systems; the current analysis of the solute-solvent free energy of interaction and the physical bases used to evaluate the electrostatic, cavitation, and di...
Progress in Physical Organic Chemistry
Progress in Physical Organic Chemistry is dedicated to reviewing the latest investigations into organic chemistry that use quantitative and mathematical methods. These reviews help readers understand the importance of individual discoveries and what they mean to the field as a whole. Moreover, the authors, leading experts in their fields, offer unique and thought-provoking perspectives on the current state of the science and its future directions. With so many new findings published in a broad range of journals, Progress in Physical Organic Chemistry fills the need for a central resource that presents, analyzes, and contextualizes the major advances in the field. The articles published in Pr...
