Solved and unsolved problems of structural chemistry

Description:

Solved and Unsolved Problems of Structural Chemistry introduces new methods and approaches for solving problems related to molecular structure. It includes numerous subjects such as aromaticity—one of the central themes of chemistry—and topics from bioinformatics such as graphical and numerical characterization of DNA, proteins, and proteomes. It also outlines the construction of novel tools using techniques from discrete mathematics, particularly graph theory, which allowed problems to be solved that many had considered unsolvable.
The book discusses a number of important problems in chemistry that have not been fully understood or fully appreciated, such as the notion of aromaticity and conjugated circuits, the generalized Hückel 4n + 2 Rule, and the nature of quantitative structure–property–activity relationships (QSARs), which have resulted in only partially solved problems and approximated solutions that are inadequate. It also describes advantages of mathematical descriptors in QSAR, including their use in screening combinatorial libraries to search for structures with high similarity to the target compounds.
Selected problems that this book addresses include:

• Multiple regression analysis (MRA)
• Insufficient use of partial ordering in chemistry
• The role of Kekulé valence structures
• The problem of protein and DNA alignment

Solved and Unsolved Problems of Structural Chemistry collects results that were once scattered in scientific literature into a thoughtful and compact volume. It sheds light on numerous problems in chemistry, including ones that appeared to have been solved but were actually only partially solved. Most importantly, it shows more complete solutions as well as methods and approaches that can lead to actualization of further solutions to problems in chemistry.

Title : Solved and unsolved problems of structural chemistry

author(s) :  Novic, Marjana; Plavsic, Dejan; Randic, Milan

Publisher: CRC Press

Year: 2016

size : 14 Mb

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Chemistry,

Computational chemistry : a practical guide for applying techniques to real world problems

Description:

A practical, easily accessible guide for bench-top chemists, this book focuses on accurately applying computational chemistry techniques to everyday chemistry problems.

Provides nonmathematical explanations of advanced topics in computational chemistry.

Focuses on when and how to apply different computational techniques.

Addresses computational chemistry connections to biochemical systems and polymers.

Provides a prioritized list of methods for attacking difficult computational chemistry problems, and compares advantages and disadvantages of various approximation techniques.

Describes how the choice of methods of software affects requirements for computer memory and processing time.

Title : Computational chemistry - a practical guide for applying techniques to real world problems

author(s) :  David Young

Publisher: Wiley

Year: 2001

size : 2 Mb

file type : PDF

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Chemistry,

3000 Solved Problems in Chemistry Part 2

Description:

More than 40 million students have trusted Schaum's Outlines for their expert knowledge and helpful solved problems. Written by renowned experts in their respective fields, Schaum's Outlines cover everything from math to science, nursing to language. The main feature for all these books is the solved problems. Step-by-step, authors walk readers through coming up with solutions to exercises in their topic of choice. 3,000 solved problems Problems from every area of chemistry Clear diagrams and illustrations Appropriate for all high school and undergraduate chemistry courses Step-by-step solutions to problems Thousands of practice problems with a wealth of problems on each topic

Title : 3000 Solved Problems in Chemistry Part 2

author(s) :  David E Goldberg

Publisher: Tata McGraw Hill

Year: 2011

size : 191 Mb

file type : PDF

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Chemistry, Medicine,

3000 Solved Problems in Chemistry Part 1

Description:

This powerful problem-solver gives you 3,000 problems in chemistry, fully solved step-by-step! From Schaum's, the originator of the solved-problem guide, and students' favorite with over 30 million study guides sold, this timesaver helps you master every type of general chemistry problem that you will face in your homework and on your tests, from basic units to coordination compounds. Work the problems yourself, then check the answers, or go directly to the answers you need with a complete index. Compatible with any classroom text, "Schaum's 3000 Solved Problems in Chemistry" is so complete it's the perfect tool for graduate or professional exam review!

Title : 3000 Solved Problems in Chemistry Part 1

author(s) :  David E Goldberg

Publisher: McGraw-Hill Education - Europe

Year: 2011

size : 200 Mb

file type : PDF

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Chemistry, Medicine,

Chemical Biophysics. Quantitative Analysis of Cellular Systems

Description:

Chemical Biophysics provides an engineering-based approach to biochemical system analysis for graduate-level courses on systems biology, computational bioengineering and molecular biophysics. It is the first textbook to apply rigorous physical chemistry principles to mathematical and computational modeling of biochemical systems for an interdisciplinary audience. The book is structured to show the student the basic biophysical concepts before applying this theory to computational modeling and analysis, building up to advanced topics and current research. Topics explored include the kinetics of nonequilibrium open biological systems, enzyme mediated reactions, metabolic networks, biological transport processes, large-scale biochemical networks and stochastic processes in biochemical systems. End-of-chapter exercises range from confidence-building calculations to computational simulation projects.

Title : Chemical Biophysics. Quantitative Analysis of Cellular Systems

author(s) :  Daniel A. Beard, Hong Qian

Publisher: Cambridge University Press

Year: 2008

size : 11 Mb

file type : PDF

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biology, Chemistry,

Structural theory of automata, semigroups, and universal algebra

Description:

Several of the contributions to this volume bring forward many mutually beneficial interactions and connections between the three domains of the title. Developing them was the main purpose of the NATO ASI summerschool held in Montreal in 2003. Although some connections, for example between semigroups and automata, were known for a long time, developing them and surveying them in one volume is novel and hopefully stimulating for the future. Another aspect is the emphasis on the structural theory of automata that studies ways to construct big automata from small ones. The volume also has contributions on top current research or surveys in the three domains. One contribution even links clones of universal algebra with the computational complexity of computer science. Three contributions introduce the reader to research in the former East block.

Title : Structural theory of automata, semigroups, and universal algebra

author(s) :  M. Goldstein, Valery B. Kudryavtsev, Ivo G. Rosenberg

Publisher: Springer

Year: 2005

size : 5 Mb

file type : PDF

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Chemistry,

Quantum Chemistry

Description:

Lowe's new edition assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry. It can serve as a primary text in quantum chemistry courses, and enables students and researchers to comprehend the current literature. This third edition has been thoroughly updated and includes numerous new exercises to facilitate self-study and solutions to selected exercises. * Assumes little initial mathematical or physical sophistication, developing insights and abilities in the context of actual problems * Provides thorough treatment of the simple systems basic to this subject * Emphasizes UNDERSTANDING of the techniques and results of modern quantum chemistry * Treats MO theory from simple Huckel through ab intio methods in current use * Develops perturbation theory through the topics of orbital interaction as well as spectroscopic selection rules * Presents group theory in a context of MO applications * Includes qualitative MO theory of molecular structure, Walsh rules, Woodward-Hoffmann rules, frontier orbitals, and organic reactions develops MO theory of periodic systems, with applications to organic polymers.

Title : Quantum Chemistry

author(s) :  John P. Lowe, Kirk Peterson

Publisher: Elsevier Academic Press

Year: 2006

size : 9 Mb

file type : PDF

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Chemistry,

The Chemistry of Food

Description:

This book is an English language translation of the author's Czech-language food chemistry textbook.
The first half of the book contains an introductory chapter and six chapters dealing with main macro- and micronutrients, and the essential nutritional factors that determine the nutritional and energy value of food raw materials and foods.
It includes chapters devoted to amino acids, peptides and proteins, fats and other lipids, carbohydrates, vitamins, mineral substances and water. The second half of the book deals with compounds responsible for odour, taste and colour that determine the sensory quality of food materials and foods. It further includes chapters devoted to antinutritional, toxic and other biologically active substances, food additives and contaminants.
Students, teachers and food technologists will find this book an essential reference on detailed information about the changes and reactions that occur during food processing and storage and possibilities how to manage them. Nutritionists and those who are interested in healthy nutrition will find information about nutrients, novel foods, organic foods, nutraceuticals, dietary supplements, antinutritional factors, food additives and contaminants.

Title : The Chemistry of Food

author(s) :  Jan Velisek

Publisher: Wiley-Blackwell

Year: 2014

size : 114 Mb

file type : Epub

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Chemistry,

Ideas of quantum chemistry

Description:

Ideas of Quantum Chemistry shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. The structure of the book (a TREE-form) emphasizes the logical relationships between various topics, facts and methods. It shows the reader which parts of the text are needed for understanding specific aspects of the subject matter. Interspersed throughout the text are short biographies of key scientists and their contributions to the development of the field. Ideas of Quantum Chemistry has both textbook and scientific reference work aspects. Like a textbook, the material is organized into digestable sections with each chapter following the same structure. It answers frequently asked questions. The most important conclusions and the essential mathematical formulae are highlighted in the text. In its reference aspects, it has a broader range than traditional quantum chemistry books and reviews virtually all of the pertinent literature. The book is as such useful both for beginners as well as for specialists in advanced topics of quantum chemistry. The book is supplemented by an appendix on the Internet: http://www.chem.uw.edu.pl/ideas/. * Presents the widest range of quantum chemical problems covered in one book * Unique structure allows material to be tailored to the specific needs of the reader * Informal language facilitates the understanding of difficult topics

Title : Ideas of quantum chemistry

author(s) :  Lucjan Piela

Publisher: DUNOD

Year: 2007

size : 8 Mb

file type :PDF and DJVU

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Chemistry,

NMR quantum information processing

Description:

Quantum Computation and Quantum Information (QIP) deals with the identification and use of quantum resources for information processing. This includes three main branches of investigation: quantum algorithm design, quantum simulation and quantum communication, including quantum cryptography. Along the past few years, QIP has become one of the most active area of research in both, theoretical and experimental physics, attracting students and researchers fascinated, not only by the potential practical applications of quantum computers, but also by the possibility of studying fundamental physics at the deepest level of quantum phenomena. NMR Quantum Computation and Quantum Information Processing describes the fundamentals of NMR QIP, and the main developments which can lead to a large-scale quantum processor. The text starts with a general chapter on the interesting topic of the physics of computation. The very first ideas which sparkled the development of QIP came from basic considerations of the physical processes underlying computational actions. In Chapter 2 it is made an introduction to NMR, including the hardware and other experimental aspects of the technique. In Chapter 3 we revise the fundamentals of Quantum Computation and Quantum Information. The chapter is very much based on the extraordinary book of Michael A. Nielsen and Isaac L. Chuang, with an upgrade containing some of the latest developments, such as QIP in phase space, and telecloning. Chapter 4 describes how NMR generates quantum logic gates from radiofrequency pulses, upon which quantum protocols are built. It also describes the important technique of Quantum State Tomography for both, quadrupole and spin 1/2 nuclei. Chapter 5 describes some of the main experiments of quantum algorithm implementation by NMR, quantum simulation and QIP in phase space. The important issue of entanglement in NMR QIP experiments is discussed in Chapter 6. This has been a particularly exciting topic in the literature. The chapter contains a discussion on the theoretical aspects of NMR entanglement, as well as some of the main experiments where this phenomenon is reported. Finally, Chapter 7 is an attempt to address the future of NMR QIP, based in very recent developments in nanofabrication and single-spin detection experiments. Each chapter is followed by a number of problems and solutions. * Presents a large number of problems with solutions, ideal for students * Brings together topics in different areas: NMR, nanotechnology, quantum computation * Extensive references

Title : NMR quantum information processing

author(s) :  Ivan Oliveira, Roberto Sarthour Jr., Tito Bonagamba, Eduardo Azevedo, Jair C. C. Freitas

Publisher: Elsevier

Year: 2007

size : 5 Mb

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Chemistry,

NMR - from spectra to structures: an experimental approach

Description:

Nuclear magnetic resonance spectroscopy is one of the most powerful analytical methods. This practice-oriented textbook aims at teaching how NMR experiments should be used to make structural asssignments. The book is intended as a practical guide for students and laboratory personnel, so that the emphasis is on practical rather than on theoretical aspects, which are treated only to the extent necessary to understand the experiments and to interpret the results. The second edition has been expanded to include several other heteronuclei (15N, 19F, 29Si, 77Se, 113Cd, 117Sn/119Sn, 195Pt, 207Pb) and a new chapter on solid state NMR. The problems section has been enlarged and now includes 50 problems. These are of different degrees of complexity and in all cases include two-dimensional (2D) methods as well as standard proton and carbon 1D spectra.

Title : NMR - from spectra to structures - an experimental approach

author(s) :  Terence N. Mitchell, Burkhard Costisella

Publisher: Springer

Year: 2007

size : 5 Mb

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Chemistry,

Encyclopedia of chemical processing (5 vols.)

Description:

Coverage in this reference extends from fundamental aspects of industrial catalytic processes to polymerization processes. More than 400 entries delve in to synthetic reactions, catalyst and reactor choice, process simulation, energy integration, pinch design and more. The text details emerging technologies such as plasma polymerization and supercritical fluid technology.

Title : Encyclopedia of chemical processing (5 vols.)

author(s) :  Sunggyu Lee

Publisher: CRC Press

Year: 2005

size : 40 Mb

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Chemistry,

Molecular orbitals of transition metal complexes

Description:

This book starts with the most elementary ideas of molecular orbital theory and leads the reader progressively to an understanding of the electronic structure, geometry and, in some cases, reactivity of transition metal complexes. The qualitative orbital approach, based on simple notions such as symmetry, overlap and electronegativity, is the focus of the presentation and a substantial part of the book is associated with the mechanics of the assembly of molecular orbital diagrams. The first chapter recalls the basis for electron counting in transition metal complexes. The main ligand fields (octahedral, square planar, tetrahedral, etc.) are studied in the second chapter (sigma interactions) and the structure of the "d block" is used to trace the relationships between the electronic structure and the geometry of the complexes. The third chapter studies the change in analysis when the ligands have pi-type interactions with the metal. All these ideas are then used in the fourth chapter to study a series of selected applications of varying complexity (structure, reactivity). The fifth chapter deals with the "isolobal analogy" which points out the resemblance between the molecular orbitals of inorganic and organic species and provides a bridge between these two subfields of chemistry. The last chapter is devoted to a presentation of basic Group Theory with applications to some of the complexes studied in the earlier chapters.

Title : Molecular orbitals of transition metal complexes

author(s) :  Yves Jean, Colin Marsden

Publisher: Oxford University Press

Year: 2005

size : 11 Mb

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Chemistry,

Introduction to relativistic quantum chemistry

Description:

This book provides an introduction to the essentials of relativistic effects in quantum chemistry, and a reference work that collects all the major developments in this field. It is designed for the graduate student and the computational chemist with a good background in nonrelativistic theory. In addition to explaining the necessary theory in detail, at a level that the non-expert and the student should readily be able to follow, the book discusses the implementation of the theory and practicalities of its use in calculations. After a brief introduction to classical relativity and electromagnetism, the Dirac equation is presented, and its symmetry, atomic solutions, and interpretation are explored. Four-component molecular methods are then developed: self-consistent field theory and the use of basis sets, double-group and time-reversal symmetry, correlation methods, molecular properties, and an overview of relativistic density functional theory. The emphases in this section are on the basics of relativistic theory and how relativistic theory differs from nonrelativistic theory. Approximate methods are treated next, starting with spin separation in the Dirac equation, and proceeding to the Foldy-Wouthuysen, Douglas-Kroll, and related transformations, Breit-Pauli and direct perturbation theory, regular approximations, matrix approximations, and pseudopotential and model potential methods. For each of these approximations, one-electron operators and many-electron methods are developed, spin-free and spin-orbit operators are presented, and the calculation of electric and magnetic properties is discussed. The treatment of spin-orbit effects with correlation rounds off the presentation of approximate methods. The book concludes with a discussion of the qualitative changes in the picture of structure and bonding that arise from the inclusion of relativity.

Title : Introduction to relativistic quantum chemistry

author(s) :  Kenneth G. Dyall, Knut Faegri Jr.

Publisher: Oxford University Press

Year: 2007

size : 2 Mb

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Chemistry,

Color Atlas of Biochemistry

Description:

Totally revised and expanded, the Color Atlas of Biochemistry presents the fundamentals of human and mammalian biochemistry on 215 stunning color plates.
Alongside a short introduction to chemistry and the "classical topics" of biochemistry, the 2nd edition covers new approaches and aspects in biochemistry, such as links between chemical structure and biological function or pathways for information transfer, as well as recent developments and discoveries, such as the structures of many new important molecules.

Title : Color Atlas of Biochemistry

author(s) :  Jan Koolman, K. Rohm

Publisher: Thieme

Year: 2005

size : 14 Mb

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Chemistry,

Tools and Applications of Biochemical Engineering Science

Description:

This volume presents 12 comprehensive and timely review articles on some of the new tools and applications of biochemical engineering and biotechnology. The tools range from screening methods for novel biocatalysts and products, fluorescence spectroscopy and mass spectrometry for monitoring and analysis of cellular processes via mathematical models and protein expression systems for metabolic engineering to new bioreaction and separation devices. The applications cover the uses of animal and tissue cultures, insect cells, recombinant and marine microorganisms for the production of a variety of important bioproducts.

Title : Tools and Applications of Biochemical Engineering Science

author(s) :  K. Schügerl, A.-P. Zeng

Publisher: Springer

Year: 2010

size : 3 Mb

file type : RAR

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Chemistry,

Influence of Stress on Cell Growth and Product Formation

Description:

Stresses which arise in bioreactors can influence process performance considerably. Recent molecular biological investigations indicate that stress caused by fluid dynamical effects and extreme values of process variables and toxic substances cause similar responses in the cells. These molecular fundamentals, as well as quantitative evaluation of fluid dynamical stresses and, their effects on microorganisms, animal and plant cells and proteins are treated in this volume.

Title : Influence of Stress on Cell Growth and Product Formation

author(s) :  Karl Schügerl, Gerlinde Kretzmer, H.J. Henzler, P.M. Kieran, G. Kretzmer, P.F. MacLoughlin, D.M. Malone, W. Schumann, P.A. Schamlou, S.S. Yim

Publisher: Springer

Year: 2010

size : 2 Mb

file type : RAR

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Chemistry,

High School Chemistry 12

Description:

Title : High School Chemistry 12

author(s) :  Ryerson

Publisher: McGraw~Hill

Year: ******

size : 14 Mb

file type : PDF

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Chemistry,

High School Chemistry 11

Description:

Title : High School Chemistry 11

author(s) :  Ryerson

Publisher: McGraw~Hill

Year: ********

size : 11 Mb

file type : PDF

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Chemistry,

Emulsion Science. Basic Principles

Description:

Emulsions are generally made out of two immiscible fluids like oil and water, one being dispersed in the second in the presence of surface-active compounds. They are used as intermediate or end products in a huge range of areas including the food, chemical, cosmetic, pharmaceutical, paint, and coating industries. Besides the broad domain of technological interest, emulsions are raising a variety of fundamental questions at the frontier between physics and chemistry. This book aims to give an overview of the most recent advances in emulsion science. The basic principles, covering aspects of emulsion from their preparation to their destruction, are presented in close relation to both the fundamental physics and the applications of these materials. The book is intended to help scientists and engineers in formulating new materials by giving them the basics of emulsion science.

Title : Emulsion Science. Basic Principles

author(s) :  Fernando Leal-Calderon, Véronique Schmitt, Jerôme Bibette

Publisher: Springer

Year: 2010

size : 5 Mb

file type : PDF

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Chemistry,