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Author : Charles Alfred Coulson
Publisher :
ISBN 13 :
Total Pages : 452 pages
Book Rating : 4.3/5 (97 download)
Download or read book Coulson's Valence written by Charles Alfred Coulson and published by . This book was released on 1979 with total page 452 pages. Available in PDF, EPUB and Kindle. Book excerpt: Inleiding in de theoretische chemie
Author :
Publisher : Royal Society of Chemistry
ISBN 13 : 9780854049677
Total Pages : 478 pages
Book Rating : 4.0/5 (496 download)
Download or read book Quantum Inorganic Chemistry written by and published by Royal Society of Chemistry. This book was released on 2003 with total page 478 pages. Available in PDF, EPUB and Kindle. Book excerpt: A discussion of recent developments in all aspects of computational chemistry.
Author : Frank Weinhold
Publisher : Cambridge University Press
ISBN 13 : 9780521831284
Total Pages : 768 pages
Book Rating : 4.8/5 (312 download)
Download or read book Valency and Bonding written by Frank Weinhold and published by Cambridge University Press. This book was released on 2005-06-17 with total page 768 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first modernized overview of chemical valency and bonding theory, based on current computational technology.
Author : Chérif F. Matta
Publisher : John Wiley & Sons
ISBN 13 : 352762922X
Total Pages : 978 pages
Book Rating : 4.5/5 (276 download)
Download or read book Quantum Biochemistry written by Chérif F. Matta and published by John Wiley & Sons. This book was released on 2010-01-14 with total page 978 pages. Available in PDF, EPUB and Kindle. Book excerpt: Divided into five major parts, the two volumes of this ready reference cover the tailoring of theoretical methods for biochemical computations, as well as the many kinds of biomolecules, reaction and transition state elucidation, conformational flexibility determination, and drug design. Throughout, the chapters gradually build up from introductory level to comprehensive reviews of the latest research, and include all important compound classes, such as DNA, RNA, enzymes, vitamins, and heterocyclic compounds. The result is in-depth and vital knowledge for both readers already working in the field as well as those entering it. Includes contributions by Prof. Ada Yonath (Nobel Prize in Chemistry 2009) and Prof. Jerome Karle (Nobel Prize in Chemistry 1985).
Author : Carmelo Giacovazzo
Publisher : Oxford University Press, USA
ISBN 13 : 9780198509585
Total Pages : 860 pages
Book Rating : 4.5/5 (95 download)
Download or read book Fundamentals of Crystallography written by Carmelo Giacovazzo and published by Oxford University Press, USA. This book was released on 2002 with total page 860 pages. Available in PDF, EPUB and Kindle. Book excerpt: In recent years crystallographic techniques have found applications in a wide range of subjects, and these applications in turn have led to exciting developments in the field of crystallography itself. This completely revised text offers a rigorous treatment of the theory and describes experimental applications in many fields: crystal symmetry, crystallographic computing, X-ray diffraction, crystal structure solution, mineral and inorganic crystal chemistry, protein crystallography, crystallography of real crystals, and crystal physics. A set of pedagogical tools on CD-ROM has been added to this new edition.
Author : Sergio Carrà
Publisher : EOLSS Publications
ISBN 13 : 1905839588
Total Pages : 480 pages
Book Rating : 4.9/5 (58 download)
Download or read book FUNDAMENTALS OF CHEMISTRY - Volume I written by Sergio Carrà and published by EOLSS Publications. This book was released on 2009-05-05 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fundamentals of Chemistry theme in two volumes, is a component of Encyclopedia of Chemical Sciences, Engineering and Technology Resources in the global Encyclopedia of Life Support Systems (EOLSS), which is an integrated compendium of twenty one Encyclopedias. The Theme is organized into six different topics which represent the main scientific areas : History and Fundamentals of Chemistry; Chemical Experimentation and Instrumentation; Theoretical Approach to Chemistry; Chemical Thermodynamics; Rates of Chemical Reactions; Chemical Synthesis of Substances. These two volumes are aimed at the following five major target audiences: University and College students Educators, Professional practitioners, Research personnel and Policy analysts, managers, and decision makers and NGOs
Author :
Publisher : Academic Press
ISBN 13 : 0080582524
Total Pages : 422 pages
Book Rating : 4.0/5 (85 download)
Download or read book Advances in Quantum Chemistry written by and published by Academic Press. This book was released on 1996-12-06 with total page 422 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry publishes surveys of current developments in the rapidly developing field of quantum chemistry--a field that falls between the historically established areas of mathematics, physics,chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, this quality serial provides a single vehicle for following progress in this interdisciplinary area.
Author : Frank L. Pilar
Publisher : Courier Corporation
ISBN 13 : 0486143872
Total Pages : 646 pages
Book Rating : 4.4/5 (861 download)
Download or read book Elementary Quantum Chemistry, Second Edition written by Frank L. Pilar and published by Courier Corporation. This book was released on 2013-08-22 with total page 646 pages. Available in PDF, EPUB and Kindle. Book excerpt: As the author notes in the Preface to this valuable text, experimental chemists have moved past studying the average behavior of atoms or molecules "to probe the step-by-step behavior of individual atoms and molecules as they collide, form 'transition states,' and ultimately form products." In such experiments, quantum mechanical computations do two useful tasks: They fill in the observational gaps and help to interpret what has been observed. This introductory course — developed by the former chairman of the chemistry department at the University of New Hampshire — covers, among other topics, the origins of the quantum theory, the Schrödinger wave equation, the quantum mechanics of simple systems, the rigid rotator, the hydrogen atom, electron spin and many-electron systems, the quantum states of atoms, the Hartree-Fock self-consistent field method, the electronic structure of molecules, and semi-empirical molecular orbital methods. One of the great values of the course is its calculations and diagrams, which were created specifically for this text and which students will be able to replicate on their home computers. The text will be most useful for advanced undergraduate or beginning graduate students who have had calculus and at least a year of undergraduate physics. A knowledge of differential equations, linear algebra, and atomic physics is helpful but not essential. Seven appendices give a concise exposition of mathematical and physical material that may not be part of the students' background.
Author : Kostas Gavroglu
Publisher : MIT Press
ISBN 13 : 0262297876
Total Pages : 367 pages
Book Rating : 4.2/5 (622 download)
Download or read book Neither Physics nor Chemistry written by Kostas Gavroglu and published by MIT Press. This book was released on 2011-10-07 with total page 367 pages. Available in PDF, EPUB and Kindle. Book excerpt: The evolution of a discipline at the intersection of physics, chemistry, and mathematics. Quantum chemistry—a discipline that is not quite physics, not quite chemistry, and not quite applied mathematics—emerged as a field of study in the 1920s. It was referred to by such terms as mathematical chemistry, subatomic theoretical chemistry, molecular quantum mechanics, and chemical physics until the community agreed on the designation of quantum chemistry. In Neither Physics Nor Chemistry, Kostas Gavroglu and Ana Simões examine the evolution of quantum chemistry into an autonomous discipline, tracing its development from the publication of early papers in the 1920s to the dramatic changes brought about by the use of computers in the 1970s. The authors focus on the culture that emerged from the creative synthesis of the various traditions of chemistry, physics, and mathematics. They examine the concepts, practices, languages, and institutions of this new culture as well as the people who established it, from such pioneers as Walter Heitler and Fritz London, Linus Pauling, and Robert Sanderson Mulliken, to later figures including Charles Alfred Coulson, Raymond Daudel, and Per-Olov Löwdin. Throughout, the authors emphasize six themes: epistemic aspects and the dilemmas caused by multiple approaches; social issues, including academic politics, the impact of textbooks, and the forging of alliances; the contingencies that arose at every stage of the developments in quantum chemistry; the changes in the field when computers were available to perform the extraordinarily cumbersome calculations required; issues in the philosophy of science; and different styles of reasoning.
Author : Gastone Gilli
Publisher : OUP Oxford
ISBN 13 : 0191580279
Total Pages : 330 pages
Book Rating : 4.1/5 (915 download)
Download or read book The Nature of the Hydrogen Bond written by Gastone Gilli and published by OUP Oxford. This book was released on 2009-06-25 with total page 330 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hydrogen bond (H-bond) effects are known: it makes sea water liquid, joins cellulose microfibrils in trees, shapes DNA into genes and polypeptide chains into wool, hair, muscles or enzymes. Its true nature is less known and we may still wonder why O-H...O bond energies range from less than 1 to more than 30 kcal/mol without apparent reason. This H-bond puzzle is re-examined here from its very beginning and presented as an inclusive compilation of experimental H-bond energies and geometries. New concepts emerge from this analysis: new classes of systematically strong H-bonds (CAHBs and RAHBs: charge- and resonance-assisted H-bonds); full H-bond classification in six classes (the six chemical leitmotifs); and assessment of the covalent nature of strong H-bonds. This leads to three distinct but inter-consistent models able to rationalize the H-bond and predict its strength, based on classical VB theory, matching of donor-acceptor acid-base parameters (PA or pKa), or shape of the H-bond proton-transfer pathway. Applications survey a number of systems where strong H-bonds play an important functional role, namely drug-receptor binding, enzymatic catalysis, ion-transport through cell membranes, crystal design and molecular mechanisms of functional materials.
Author : H. Breuer
Publisher : Springer Science & Business Media
ISBN 13 : 3642189792
Total Pages : 762 pages
Book Rating : 4.6/5 (421 download)
Download or read book Applied Laser Medicine written by H. Breuer and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 762 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook is intended for the advanced specialist and for the practitioner interested in the application of lasers in medicine. It provides summaries of all available medical laser systems and their clinical use. The first part introduces basic laser physics, including laser-tissue interactions as well as technical equipment and particular techniques developed for medical use in connection with laser. The second part of the text covers all areas of laser application in medicine and has been written by senior specialists from different countries. The book includes about 300 line drawings, more than 100 high quality photographs, an extensive subject and author register, and an exhaustive list of references.
Author : Hendrik Keyzer
Publisher : CRC Press
ISBN 13 : 9780849354090
Total Pages : 432 pages
Book Rating : 4.3/5 (54 download)
Download or read book Electropharmacology written by Hendrik Keyzer and published by CRC Press. This book was released on 1990-09-25 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: This extraordinary book covers the extremely broad subject of electropharmacology-defined here as the application of principles and methods of electrochemistry to biological topics associated with the action of drugs. It focuses on the physical principles of the movement of electrical charges across interfaces in pharmacological phenomena. It also covers drugs and the electrical procedures which modify a natural process having an electrochemical basis or component. This outstanding report studies the pharmacologically important properties and effects by electrochemical methods, the electrochemical alternatives or adjuncts to drug therapy, and the pharmacology involved. Easy to read and understand, this is an ideal reference for all researchers and practitioners of pharmacology and related fields.
Author : Linus Pauling
Publisher : World Scientific
ISBN 13 : 9810229402
Total Pages : 746 pages
Book Rating : 4.8/5 (12 download)
Download or read book Linus Pauling: Biomolecular sciences written by Linus Pauling and published by World Scientific. This book was released on 2001 with total page 746 pages. Available in PDF, EPUB and Kindle. Book excerpt: Linus Pauling wrote a stellar series of over 800 scientific papers spanning an amazing range of fields, some of which he himself initiated. This book is a selection of the most important of his writings in the fields of quantum mechanics, chemical bonding (covalent, ionic, metallic, and hydrogen bonding), molecular rotation and entropy, protein structure, hemoglobin, molecular disease, molecular evolution, the antibody mechanism, the molecular basis of anesthesia, orthomolecular medicine, radiation chemistry?biology, and nuclear structure. Through these papers the reader gets a fresh, unfiltered view of the genius of Pauling's many contributions to chemistry, chemical physics, molecular biology, and molecular medicine.
Author : Shridhar R Gadre
Publisher : World Scientific
ISBN 13 : 9814494542
Total Pages : 304 pages
Book Rating : 4.8/5 (144 download)
Download or read book Computational Chemistry: Reviews Of Current Trends, Vol. 4 written by Shridhar R Gadre and published by World Scientific. This book was released on 1999-11-05 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume presents a balanced blend of methodological and applied contributions. It supplements well the first three volumes of the series, revealing results of current research in computational chemistry. It also reviews the topographical features of several molecular scalar fields. A brief discussion of topographical concepts is followed by examples of their application to several branches of chemistry.The size of a basis set applied in a calculation determines the amount of computer resources necessary for a particular task. The details of a common strategy — the ab initio model potential method — which could be used to minimize such a task are revealed in the subsequent contribution. Such an approach is applied to atoms, molecules and solids. Two chapters are devoted to the prediction of solvent effects in biological systems. These effects are significant for interactions of nucleic acid bases and crucial for an evaluation of the free energies that govern the associations of macromolecules in aqueous solutions.A chapter on the developments and applications of the multireference Moller-Plesset method could be used as a reference in theoretical studies of systems where both the dynamical and nondynamical correlation effects should be accounted for. This technique is an efficient tool in such investigations. An explosive application of computational techniques — studies of detonation initiation and sensitivity in energetic compounds — is discussed in detail in the last chapter. The computational treatment of such unstable compounds allows the prediction of their crucial properties without being subject to their destructive forces.
Author : Valerio Magnasco
Publisher : Elsevier
ISBN 13 : 008046680X
Total Pages : 750 pages
Book Rating : 4.0/5 (84 download)
Download or read book Elementary Methods of Molecular Quantum Mechanics written by Valerio Magnasco and published by Elsevier. This book was released on 2006-12-20 with total page 750 pages. Available in PDF, EPUB and Kindle. Book excerpt: Elementary Methods of Molecular Quantum Mechanics shows the methods of molecular quantum mechanics for graduate University students of Chemistry and Physics. This readable book teaches in detail the mathematical methods needed to do working applications in molecular quantum mechanics, as a preliminary step before using commercial programmes doing quantum chemistry calculations.This book aims to bridge the gap between the classic Coulson's Valence, where application of wave mechanical principles to valence theory is presented in a fully non-mathematical way, and McWeeny's Methods of Molecular Quantum Mechanics, where recent advances in the application of quantum mechanical methods to molecular problems are presented at a research level in a full mathematical way. Many examples and mathematical points are given as problems at the end of each chapter, with a hint for their solution. Solutions are then worked out in detail in the last section of each Chapter.* Uses clear and simplified examples to demonstrate the methods of molecular quantum mechanics * Simplifies all mathematical formulae for the reader* Provides educational training in basic methodology
Author : Ireneusz Grabowski
Publisher : Springer Nature
ISBN 13 : 3031520785
Total Pages : 300 pages
Book Rating : 4.0/5 (315 download)
Download or read book Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology written by Ireneusz Grabowski and published by Springer Nature. This book was released on with total page 300 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Valerio Magnasco
Publisher : John Wiley & Sons
ISBN 13 : 0470684542
Total Pages : 299 pages
Book Rating : 4.4/5 (76 download)
Download or read book Methods of Molecular Quantum Mechanics written by Valerio Magnasco and published by John Wiley & Sons. This book was released on 2009-10-29 with total page 299 pages. Available in PDF, EPUB and Kindle. Book excerpt: Methods of Molecular Quantum Mechanics This advanced text introduces to the advanced undergraduate and graduate student the mathematical foundations of the methods needed to carry out practical applications in electronic molecular quantum mechanics, a necessary preliminary step before using commercial programmes to carry out quantum chemistry calculations. Major features of the book include: Consistent use of the system of atomic units, essential for simplifying all mathematical formulae Introductory use of density matrix techniques for interpreting properties of many-body systems An introduction to valence bond methods with an explanation of the origin of the chemical bond A unified presentation of basic elements of atomic and molecular interactions The book is intended for advanced undergraduate and first-year graduate students in chemical physics, theoretical and quantum chemistry. In addition, it is relevant to students from physics and from engineering sub-disciplines such as chemical engineering and materials sciences.
