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• Intermolecular Forces
• Clusters
• Molecular Spectroscopy
• Magnetic Resonance
• Quantum Chemistry
• Photochemical Dynamics
• Gas-Phase Kinetics
• Ultrafast Processes
• Molecular Reaction Dynamics
• Atmospheric Chemistry
• Astrophysical Chemistry
• Theoretical Dynamics
• Statistical Thermodynamics
• Polymers
• Colloids
• Liquid Crystals
• Liquid-Solid Interfaces: Liquid-Liquid Interfaces
• Electrochemistry
• Gas-Solid Surface Science
• Biophysical Chemistry
• Solid State Chemistry
• Catalysis.
• (source: Nielsen Book Data)

Compiled to celebrate the centenary of the founding of the Faraday Society in 1903, this collection presents some of the key papers published in Faraday journals over the past one hundred years. The feature articles were all written by leaders in their field, including a number of Nobel Prize winners such as Lord George Porter and John Pople, and cover a breadth of topics demonstrating the wide range of scientific fields which the Faraday Society, and now the RSC Faraday Division, seek to promote. Topics include: Intermolecular Forces; Ultrafast Processes; Astrophysical Chemistry; Polymers; and Electrochemistry. Each article is accompanied by a commentary which puts it in context, describes its influence and shows how the field has developed since its publication. 100 Years of Physical Chemistry: A Collection of Landmark Papers will be welcomed by anyone interested in the historical development of physical chemistry, and will be a valued addition to any library shelf.
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• Introduction to 1,1'-Binaphthyls
• Main Chain Chiral Conjugated Polymers
• Polybinaphthyls in Asymmetric catalysis
• Asymmetric Catalysis by BINOL and Its Nonpolymeric Derivatives
• Enantioselective Fluorescent Sensors Based on 1,1'-Binaphthyl Derived Dendrimers, Small Molecules and Macrocycles
• Miscellaneous Studies on Materials Related to 1,1'-Binaphthyls.
• (source: Nielsen Book Data)

Chiral materials have been studied in the Department of Chemistry at the University of Virginia for applications in areas like asymmetric catalysis, enantioselective fluorescent sensing, and optical/electrical materials. Optically active 1,1'-binaphthyl molecules are used to build novel chiral polymers, dendrimers, macrocycles, and acyclic molecules. 1,1'-Binaphthyl molecules are chosen because of their remarkably stable chiral configuration as well as their high asymmetric inductions in many processes.In this book, both the fundamental knowledge about the 1,1'-binaphthyl molecules and the synthesis of the structurally diverse 1,1'-binaphthyl-based materials are described. The applications of these materials in various fields are also discussed. This book will serve as a reference for graduate students as well as other professionals working in the related fields.
(source: Nielsen Book Data)

• The NMR Spectrometer. Determination of the Pulse-Duration. Routine NMR Spectroscopy and Standard Tests. Decoupling Techniques. Dynamic NMR Spectroscopy. ID Multiple Sequences. NMR Spectroscopy with Selective Pulses. Auxiliary Reagents, Quantitative Determinations, and Reaction Mechanisms. 1D Heteronuclear NMR Spectroscopy. The Second Dimension. 1D NMR Spectroscopy with Field Gradients. 2D NMR Spectroscopy with Field Gradients. The Third Dimension. Solid-State NMR Spectroscopy. Appendices. Glossary and Index.
• (source: Nielsen Book Data)

Explore the full productivity of your NMR equipment! - How one has to perform NMR experiments? - Which experiment conveys the desired information? - How do the applied pulse sequences work? - How can the desired informations be read off the spectra? - Which equipment is needed for special experiments? The new edition of this highly successful book is expanded by another 50 important NMR experiments dedicated to the latest developments. The expansions mainly concern the fields of chemical applications, of very recent gradient selected experiments now arranged in two chapters (1D and 2D), and of the basics of solid-state NMR in a completely new chapter. Again, all experiments from basic pulse determinations to advanced 2D and some 3D techniques have been performed especially for this book. The figures are taken directly from the spectrometer output and the reader can therefore rely on the results presented. Written by leading experts, it is a thorough guide through the maze of modern NMR tools. Being a textbook as well as a reference and work book for the laboratory, this book is a must for every scientist applying NMR as well as for students preparing for their lab courses.
(source: Nielsen Book Data)

• Gases and the kinetic-molecular theory
• translational and transport phenomena
• first law of thermodynamics
• thermochemistry
• entropy
• free energy
• chemical equilibrium
• statistical thermodynamics
• electrochemistry heterogeneous equilibria
• solutions
• rates of chemical reactions
• reaction kinetics
• introduction to quantum mechanics
• atomic structure and spectroscopy
• electronic structure of diatomic molecules
• spectroscopy of diatomic molecules
• electronic structure of polyatomic molecules
• spectroscopy of polyatomic molecules
• symmetry and group theory
• intermolecular bonding
• crystals
• phenomena at interfaces
• macromolecules.
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• Structure and properties
• bonding and molecular structure
• chemical reactivity and organic reactions
• alkanes
• cycloalkanes
• stereochemistry
• alkenes
• alkyl halides
• alkynes, dienes and orbital symmetry
• aromaticity and benzene
• aromatic substitution, arenes
• spectroscopy and structure proof
• alcohols and thiols
• ethers, epoxides, glycols and thioethers
• aldehydes and ketones
• carboxylic acids
• acid derivatives
• carbanion-enolates and enols
• amines
• phenols and their derivatives
• aromatic heterocyclic compounds
• amino acids, peptides and proteins
• carbohydrates.
• (source: Nielsen Book Data)

Master organic chemistry with "Schaum's" - the high-performance solved-problem guide. It will help you cut study time, hone problem-solving skills, and achieve your personal best on exams! Students love "Schaum's Solved Problem Guides" because they produce results. Each year, thousands of students improve their test scores and final grades with these indispensable guides. Get the edge on your classmates. Use "Schaum's"! If you don't have a lot of time but want to excel in class, use this book to: brush up before tests; study quickly and more effectively; and, learn the best strategies for solving tough problems in step-by-step detail. Review what you've learned in class by solving thousands of relevant problems that test your skill.Compatible with any classroom text, "Schaum's Solved Problem Guides" let you practice at your own pace and remind you of all the important problem-solving techniques you need to remember fast! And "Schaum's" are so complete, they're perfect for preparing for graduate or professional exams. Inside you will find: 3000 solved problems with complete solutions, the largest selection of solved problems yet published on this subject; an index to help you quickly locate the types of problems you want to solve; problems like those you'll find on your exams; techniques for choosing the correct approach to problems; and, guidance toward the quickest, most efficient solutions.If you want top grades and thorough understanding of organic chemistry, this powerful study tool is the best tutor you can have! Chapters include: Structure and Properties; Bonding and Molecular Structure; Chemical Reactivity and Organic Reactions; Alkanes; Cycloalkanes; Stereochemistry; Alkenes; Alkyl Halides; Alkynes, Dienes, and Orbital Symmetry; Aromaticity and Benzene; Aromatic Substitution, Arenes; Spectroscopy and Structure Proof; Alcohols and Thiols; Ethers, Epoxides, Glycols, and Thioethers; Aldehydes and Ketones; Carboxylic Acids; Acid Derivatives; Carbanion-Enolates and Enols; Amines; Phenols and Their Derivatives; Aromatic Heterocyclic Compounds; Amino Acids, Peptides, and Proteins; and, Carbohydrates.
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When was radium discovered? Who are Dmitri Mendeleev and Glenn T. Seaborg? Who discovered uranium's radioactivity? Which element is useful for dating the age of Earth? And why doesn't gold have a scientific name? 30-Second Elements presents you with the very foundations of chemical knowledge, explaining concisely the 50 most significant chemical elements. This book uses helpful glossaries and tables to fast track your knowledge of the other 68 elements and the relationships between all of them.
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• Preface
• Chapter 1 The Organic Set of NMR Spectra 1 1.1 The 1H NMR Experiment 3 1.2 APT-13C NMR 7 1.3 COSY 11 1.4 NOESY 17 1.5 HSQC 23 1.6 HMBC 29
• Chapter 2 Advanced Organic NMR Spectroscopy 35 2.1 2D J-Resolved 1H NMR Spectroscopy 37 2.2 ROESY 41 2.3 TOCSY 45 2.4 HSQC-TOCSY 49 2.5 HOESY 53 2.6 INADEQUATE 57 2.7 ADEQUATE 61 2.8 J-HMBC 65 2.9 Gated Decoupling 71
• Chapter 3 Selective Methods 75 3.1 Water suppression by Presaturation 77 3.2 Solvent Suppression by 1D-NOESY 81 3.3 Water Suppression by SOGGY Excitation Sculpting 85 3.4 Solvent Suppression using WET 89 3.5 SELTOCSY 93 3.6 SELNOESY 97 3.7 SELINCOR 101 3.8 SELINQUATE 105 3.9 Band Selective HMBC 109
• Chapter 4 Heteronuclear NMR 113 4.1 11B NMR Spectroscopy 119 4.2 15N NMR Spectroscopy 123 4.3 17O NMR Spectroscopy 127 4.4 19F NMR Spectroscopy 131 4.5 29Si NMR Spectroscopy 135 4.6 57Fe NMR Spectroscopy 139 4.7 195Pt NMR Spectroscopy 145
• Chapter 5 Experiments in Physical Organic Chemistry 149 5.1 Measurement of the Spin--Lattice Relaxation Time T1 151 5.2 Measurement of the Spin--Spin Relaxation Time T2 155 5.3 Dynamic 1H NMR Spectroscopy 159 5.4 Diffusion Measurement with DOSY 163 5.5 Residual Dipolar Couplings (RDC) 167
• Chapter 6 Organic Chemistry Applications 173 6.1 ASIS 175 6.2 Chirality Determination 179 6.3 Advanced Mosher Method 183 6.4 Quantitative NMR and Relaxation Reagents 187 6.5 Determination of Association Constants Ka 193 6.6 STD NMR 199 6.7 A Kinetic Experiment 203
• Chapter 7 An Excursion to the Solid State and to Structural Biology 209 7.1 The CP/MAS Experiment 211 7.2 High-Resolution Magic-Angle Spinning 215 7.3 HN-HSQC 219 7.4 HNCA 225
• Chapter 8 Maintenance and Calibration 233 8.1 Calibration of Pulse Duration in the Transmitter Channel 235 8.2 Calibration of the Pulse Duration in the Indirect Channel 241 8.3 Shaped Pulses 247 8.4 Adiabatic pulses 253 8.5 Temperature Calibration in NMR 257 8.6 Calibration of Pulsed Field Gradients 265 Appendix Answers 273 Pulse Programs 295 Elementary Product Operator Formalism Rules 296 Chemical Shift and Spin-Coupling Data for Strychnine 298 Picture Credits 300 Index 301.
• (source: Nielsen Book Data)

This book is the perfect link for learning how to perform the experiments after only having studied theory. In eight chapters more than 50 essential NMR experiments are described in detail. Special focus is put on the organic set of NMR spectra (1H, 13C-APT, COSY, NOESY, HSQC and HMBC). Different chapters deal with advanced organic NMR, selective methods, heteronuclear NMR, relaxation and diffusion measurements, organic applications and maintenance. Every experiment has a section providing the reader with the purpose and scope of the specific experiment. Every experiment is concluded with the spectrum as it is obtained under the conditions described. Questions and comments enable the reader to check their understanding. The authors are very experienced and the whole book is in full color, which enhances the reading experience and makes the spectra and other figures easier to understand. This book is strongly recommended for all students and researchers who are involved in the structural elucidation of chemical compounds both in practical education and in pursuing research, in particular if they handle an NMR spectrometer.
(source: Nielsen Book Data)

• The basics
• Atomic structure
• Bonding and the periodic table
• Phases
• Gases
• Solutions
• Kinetics
• Equilibrium
• Acids and bases
• Thermodynamics
• Electrochemistry
• Final review.

• Preface
• 1. Setting the stage: why ab initio molecular dynamics?
• Part I. Basic Techniques: 2. Getting started: unifying MD and electronic structure
• 3. Implementation: using the plane wave basis set
• 4. Atoms with plane waves: accurate pseudopotentials
• Part II. Advanced Techniques: 5. Beyond standard ab initio molecular dynamics
• 6. Beyond norm-conserving pseudopotentials
• 7. Computing properties
• 8. Parallel computing
• Part III. Applications: 9. From materials to biomolecules
• 10. Properties from ab initio simulations
• 11. Outlook
• Bibliography
• Index.
• (source: Nielsen Book Data)

Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques to enable readers to understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely used Car-Parrinello approach, correcting various misconceptions currently found in research literature. The book contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly used program packages and enabling developers to improve and add new features in their code.
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• Theoretical Background. The Computational Problem. Selection of A Model. Practical Considerations: Input and Output. The Performance of the Model. Index.
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Describing and discussing the use of theoretical models as an alternative to experiments in making accurate predictions of chemical phenomena, this book addresses the formulation of theoretical molecular orbital models starting from quantum mechanics, and compares them to experimental results. It draws on a series of models that have already received widespread application and are available for new applications.
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• Some NMR Basics Electromagnetic Basics of NMR
• How Do We Perform the NMR Fourier Transform? The Bloch Equations: Calculating What Happens in NMR Experiments
• The NMR Fourier Transform and its Problems
• Relaxation and the Nuclear Overhauser Effect
• Pulse Experiments in One-Dimensional NMR Spectra
• NMR Spectroscopy in Two Dimensions
• Some Thoughts on Spin-Spin Splitting
• Some Thoughts About Chemical Shifts
• Measurement of Rates by NMR
• Index.
• (source: Nielsen Book Data)

The primary purpose of this book is to help the reader understand what is going on in Fourier Transform (FT) Nuclear Magnetic Resonance (NMR) spectroscopy. Modern life is now very largely life with "black boxes" that carry warning labels: "No user-servicable parts inside". Many find black boxes to be quite acceptable, at least as long as they work. But how willing should we be to accept black-box analyses without some understanding of how those analyses were obtained? NMR spectrometers are like "black boxes" in that they offer many standardized procedures without understanding how and why the proper parameter choices are critical. The scope of this book is broad rather than deep with the intention of providing helpful insight. Much can be understood in a more qualitative way and that is the approach taken here. For those areas where a quantitative approach is needed, simple mathematics will usually suffice.
(source: Nielsen Book Data)