Orbitals

With Applications in Atomic Spectra

Author: Charles Stuart McCaw

Publisher: Essential Textbooks in Chemistry

ISBN: 9781783264131

Category: Science

Page: 261

View: 1566

This book, suitable for undergraduates in chemistry, describes atomic orbitals in detail and is illustrated by three-dimensional plots of the mathematical functions (no artists' impressions). It then extends the key fundamental quantum properties to many-electron atoms, linear combinations of atomic orbitals, simple molecules, delocalised systems, atomic spectroscopy and paramagnetism.
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Orbitals

With Applications in Atomic Spectra

Author: Charles S McCaw

Publisher: World Scientific Publishing Company

ISBN: 1783264160

Category: Science

Page: 276

View: 7416

This book describes atomic orbitals at a level suitable for undergraduates in chemistry. The mathematical treatment is brought to life by many illustrations rendered from mathematical functions (no artists' impressions), including three-dimensional plots of angular functions, showing orbital phase, and contour plots of the wavefunctions that result from orbital hybridisation. Orbitals extends the key fundamental quantum properties to many-electron atoms, linear combinations of atomic orbitals, simple molecules, delocalised systems and atomic spectroscopy. By focusing on simple model systems, use of analogies and avoiding group theory the results are obtained from initial postulates without the need for sophisticated mathematics.
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Principles of Nuclear Chemistry

Author: Peter A C McPherson

Publisher: World Scientific Publishing Company

ISBN: 1786340534

Category:

Page: 272

View: 6570

Principles of Nuclear Chemistry is an introductory text in nuclear chemistry and radiochemistry, aimed at undergraduates with little or no knowledge of physics. It covers the key aspects of modern nuclear chemistry and includes worked solutions to end of chapter questions. The text begins with basic theories in contemporary physics and uses these to introduce some fundamental mathematical techniques. It relates nuclear phenomena to key divisions of chemistry such as atomic structure, spectroscopy, equilibria and kinetics. It also gives an introduction to f-block chemistry and the nuclear power industry. This book is essential reading for those taking a first course in nuclear chemistry and is a useful companion to other volumes in physical and analytical chemistry. It will also be of use to those new to working in nuclear chemistry or radiochemistry.
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Atmospheric Chemistry

From the Surface to the Stratosphere

Author: Grant Ritchie

Publisher: World Scientific Publishing Company

ISBN: 1786341786

Category:

Page: 224

View: 7643

Understanding the composition and chemistry of the Earth's atmosphere is essential to global ecological and environmental policy making and research. Atmospheric changes as a result of both natural and anthropogenic activity have affected many of the Earth's natural systems throughout history, some more seriously than others, and such changes are ever more evident with increases in both global warming and extreme weather events. Atmospheric Chemistry considers in detail the physics and chemistry of our atmosphere, that gives rise to our weather systems and climate, soaks up our pollutants and protects us from solar UV radiation. The development of the complex chemistry occurring on Earth can be explained through application of basic principles of physical chemistry, as is discussed in this book. It is therefore accessible to intermediate and advanced undergraduates of chemistry, with an interdisciplinary approach relevant to meteorologists, oceanographers, and climatologists. It also provides an ideal opportunity to bring together many different aspects of physical chemistry and demonstrate their relevance to the world we live in. This book was written in conjunction with Astrochemistry: From the Big Bang to the Present Day, Claire Vallance (2017) World Scientific Publishing. Request Inspection Copy
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Astrochemistry

From the Big Bang to the Present Day

Author: Hae-Geon Lee

Publisher: World Scientific Publishing Company

ISBN: 1786340402

Category: Science

Page: 228

View: 3471

The rapidly growing field of astrochemistry focuses on the chemistry occurring in stars, planets, and the interstellar medium, bringing together elements of chemistry, physics, astrophysics, and biology. Astrochemistry describes the chemical history of the Universe, our solar system, and our planet. It explores in some detail the 'alien' chemistry occurring in interstellar gas clouds, the regions where stars and planets are formed, and also looks at the theoretical and experimental methods that allow us to carry out Earth-based studies of astrochemistry. The evolution of the Universe and the complex chemistry occurring both in interstellar space and in the planetary systems that form in these regions is explained primarily in terms of basic principles of physical chemistry. While there is plenty to interest the general reader, this book is aimed at intermediate to advanced undergraduates of chemistry and astrochemistry, highlighting many different aspects of physical chemistry and demonstrating their relevance to the world we live in. This book was written in conjunction with Atmospheric Chemistry: From the Surface to the Stratosphere, Grant Ritchie (2017) World Scientific Publishing.
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Problems of Instrumental Analytical Chemistry

A Hands-On Guide

Author: JM Andrade-Garda,A Carlosena-Zubieta,MP Gómez-Carracedo,MA Maestro-Saavedra,MC Prieto-Blanco,RM Soto-Ferreiro

Publisher: World Scientific Publishing Company

ISBN: 1786341824

Category:

Page: 480

View: 6466

The complex field of analytical chemistry requires knowledge and application of the fundamental principles of numerical calculation. Problems of Instrumental Analytical Chemistry provides support and guidance to help students develop these numerical strategies to generate information from experimental results in an efficient and reliable way. Exercises are provided to give standard protocols to follow which address the most common calculations needed in the daily work of a laboratory. Also included are easy to follow diagrams to facilitate understanding and avoid common errors, making it perfect as a hands-on accompaniment to in-class learning. Subjects covered follow a course in analytical chemistry from the initial basics of data analysis, to applications of mass, UV-Vis, infrared and atomic spectrometry, chromatography, and finally concludes with an overview of nuclear magnetic resonance. Intended as a self-training tool for undergraduates in chemistry, analytic chemistry and related subjects, this book is also useful as a reference for scientists looking to brush up on their knowledge of instrumental techniques in laboratories. Request Inspection Copy
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Fundamentals of Quantum Chemistry

Author: J. E. House

Publisher: Academic Press

ISBN: 9780123567710

Category: Science

Page: 291

View: 5939

This is a self-contained student-friendly introduction to the key concepts of quantum chemistry. The math is developed as needed and motivated by the concepts themselves. (Midwest).
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Strategies and Applications in Quantum Chemistry

From Molecular Astrophysics to Molecular Engineering

Author: Y. Ellinger,M. Defranceschi

Publisher: Springer Science & Business Media

ISBN: 0306469308

Category: Science

Page: 463

View: 1649

At the time when increasing numbers of chemists are being attracted by the fascination of supposedly easy computing and associated colourful imaging, this book appears as a counterpoint. The first part focuses on fundamental concepts of quantum chemistry, covering MCSCF theory, perturbation treatments, basis set developments, density matrices, wave function instabilities to correlation effects, and momentum space theory. The second part is devoted to more practical studies, ranging from the characterisation of exotic interstellar molecules, the accurate determination of spectroscopic constants, excited states structures and EPR parameters through photochemical and charge-transfer processes, cluster chemistry and fullerenes, muonium chemistry, to the possible prediction of the response of materials to electric fields in view of nonlinear optical applications. Audience: Graduate students and researchers whose work involves quantum chemistry, molecular physics, and materials modelling.
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Basic Atomic and Molecular Spectroscopy

Author: John Michael Hollas

Publisher: Royal Society of Chemistry

ISBN: 9780854046676

Category: Education

Page: 184

View: 9162

The main aim of this unique book is to introduce the student to spectroscopy in a clear manner which avoids, as far as possible, the mathematical aspects of the subject. It is thus intended for first or second year undergraduates, particularly those with minimal mathematics qualifications. After explaining the theory behind spectroscopy, the book then goes on to look at the different techniques, such as rotational, vibrational and electronic spectroscopy. It encompasses both high resolution (structural) and low resolution (analytical) spectroscopy, demonstrating their close interrelationship. The many worked problems make this book particularly appealing for independent study. Ideal for the needs of undergraduate chemistry students, Tutorial Chemistry Texts is a major new series consisting of short, single topic or modular texts concentrating on the fundamental areas of chemistry taught in undergraduate science courses. Each book provides a concise account of the basic principles underlying a given subject, embodying an independent-learning philosophy and including worked examples.
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Frontiers in Quantum Methods and Applications in Chemistry and Physics

Selected Proceedings of QSCP-XVIII (Paraty, Brazil, December, 2013)

Author: Marco Antonio Nascimento,Jean Maruani,Erkki J. Brändas,Gerardo Delgado-Barrio

Publisher: Springer

ISBN: 3319143972

Category: Science

Page: 289

View: 6261

This edited, multi-author volume contains 14 selected, peer–reviewed contributions based on the presentations given at the 18th International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP XVIII), held at Casa da Cultura de Paraty, Rio de Janeiro, Brazil, in December 2013. It is divided into several sections written by leaders in the respective fields of quantum methodology applied to atomic molecular and condensed matter systems, each containing the most relevant material based on related topics. Recent advances and state-of-the-art developments in the quantum theory of atomic, molecular and condensed matter systems (including bio and nano structures) are presented.
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Principles and Applications of ESR Spectroscopy

Author: Anders Lund,Masaru Shiotani,Shigetaka Shimada

Publisher: Springer Science & Business Media

ISBN: 9781402053443

Category: Science

Page: 461

View: 763

Principles and Applications of ESR Spectroscopy fills the gap between the detailed monographs in ESR spectroscopy and the general textbooks in molecular physics, physical chemistry, biochemistry or spectroscopy. The latter only briefly explain the underlying theory and do not provide details about applications, while the currently available ESR textbooks are primarily focused on the technique as such. This text is based upon the authors’ long experience of teaching the subject to a mixed audience, in the extreme case ranging from physics to biology. The potential of the method is illustrated with applications in fields such as molecular science, catalysis and environmental sciences, polymer and materials sciences, biochemistry and radiation chemistry/physics. Theoretical derivations have in general been omitted, as they have been presented repeatedly in previous works. The necessary theory is instead illustrated by practical examples from the literature.
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Introduction to Quantum Mechanics

In Chemistry, Materials Science, and Biology

Author: S. M. Blinder

Publisher: Academic Press

ISBN: 0121060519

Category: Science

Page: 319

View: 3355

This book provides a lucid, up-to-date introduction to the principles of quantum mechanics at the level of undergraduates and first-year graduate students in chemistry, materials science, biology and related fields. It shows how the fundamental concepts of quantum theory arose from classic experiments in physics and chemistry, and presents the quantum-mechanical foundations of modern techniques including molecular spectroscopy, lasers and NMR. Blinder also discusses recent conceptual developments in quantum theory, including Schrödinger's Cat, the Einstein-Podolsky-Rosen experiment, Bell's theorem and quantum computing. * Clearly presents the basics of quantum mechanics and modern developments in the field * Explains applications to molecular spectroscopy, lasers, NMR, and MRI * Introduces new concepts such as Schrödinger's Cat, Bell's Theorem, and quantum computing * Includes full-color illustrations, proven pedagogical features, and links to online materials
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Spectroscopy

Author: N.A

Publisher: Krishna Prakashan Media

ISBN: 9788182830189

Category:

Page: 240

View: 9640

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Applications of Physical Methods to Inorganic and Bioinorganic Chemistry

Author: Robert A. Scott

Publisher: John Wiley & Sons

ISBN: 0470032170

Category: Science

Page: 576

View: 697

Modern spectroscopic and instrumental techniques are essential to the practice of inorganic and bioinorganic chemistry. This text provides a consistent and comprehensive description of the practical aaplicability of a large number of techniques to modern problems in organic and bioinorganic chemistry.
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Symmetry in bonding and spectra

an introduction

Author: Bodie Eugene Douglas,Charles A. Hollingsworth

Publisher: Academic Pr

ISBN: N.A

Category: Science

Page: 456

View: 1069

Many courses dealing with the material in this text are called "Applications of Group Theory." Emphasizing the central role and primary importance of symmetry in the applications, Symmetry in Bonding and Spectra enables students to handle applications, particularly applications to chemical bonding and spectroscopy. It contains the essential background in vectors and matrices for the applications, along with concise reviews of simple molecular orbital theory, ligand field theory, and treatments of molecular shapes, as well as some quantum mechanics. Solved examples in the text illustrate theory and applications or introduce special points. Extensive problem sets cover the important methods and applications, with the answers in the appendix.
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Laser Spectroscopy and its Applications

Author: Richard W. Solarz,Jeffrey A. Paisner

Publisher: CRC Press

ISBN: 9780824775254

Category: Technology & Engineering

Page: 712

View: 6824

Bringing together scattered literature from a range of sources, Laser Spectroscopy and Its Applications clearly elucidates the tools and concepts of this dynamic area, and provides extensive bibliographies for further study. Distinguished experts in their respective fields discuss resonance photoionization, laser absorption, laser-induced breakdown, photodissociation, Raman scattering, remote sensing, and laser-induced fluorescence. The book also incorporates an overview of the semiclassical theory of atomic and molecular spectra. Combining background at an intermediate level with an in-depth discussion of specific techniques, Laser Spectroscopy and Its Applications is essential reading for laser and optical scientists and engineers; analytical chemists; health physicists; researchers in optical, chemical, pharmaceutical, and metallurgical industries. It will also prove useful for upper-level undergraduate and graduate students of laser spectroscopy and its applications, and in-house seminars and short courses offered by firms and professional societies. Book jacket.
Posted in Technology & Engineering

Group Theory and Chemistry

Author: David M. Bishop

Publisher: Courier Corporation

ISBN: 9780486673554

Category: Science

Page: 300

View: 8702

Concise, self-contained introduction to group theory and its applications to chemical problems. Symmetry, matrices, molecular vibrations, transition metal chemistry, more. Relevant math included. Advanced-undergraduate/graduate-level. 1973 edition.
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Molecular Symmetry

Author: David Willock

Publisher: John Wiley & Sons

ISBN: 0470853476

Category: Science

Page: 438

View: 7701

Symmetry and group theory provide us with a rigorous method for the description of the geometry of objects by describing the patterns in their structure. In chemistry it is a powerful concept that underlies many apparently disparate phenomena. Symmetry allows us to accurately describe the types of bonding that can occur between atoms or groups of atoms in molecules. It also governs the transitions that may occur between energy levels in molecular systems, leading to a predictive understanding of the absorption properties of molecules and hence their spectra. Molecular Symmetry lays out the formal language used in the area, with illustrative examples of particular molecules throughout. It then applies the ideas of symmetry and group theory to describe molecular structure, bonding in molecules and to consider the implications in spectroscopy. Topics covered include: Symmetry elements Symmetry operations and products of operations Point groups used with molecules Point group representations, matrices and basis sets Reducible and irreducible representations Applications in vibrational spectroscopy Molecular orbital theory of chemical bonding Molecular Symmetry is designed to introduce the subject by combining symmetry with spectroscopy and bonding in a clear and accessible manner. Each chapter ends with a summary of learning points, a selection of self-test questions, and suggestions for further reading. A set of appendices includes templates for paper models which will help students understand symmetry operations and cover key aspects of the material in depth. Molecular Symmetry is a must-have introduction to this fundamental topic for students of chemistry, and will also find a place on the bookshelves of postgraduates and researchers looking for a broad and modern introduction to the subject.
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Fundamentals of Molecular Spectroscopy.

Author: P S Sindhu

Publisher: New Age International

ISBN: 9788122417968

Category:

Page: 426

View: 8794

The Book Has 15 Chapters In All. The First Two Chapters Are Related To Atomic Structure And Atomic Spectra. The Next Chapter Is Devoted To Nature Of Chemical Bonds As Looked Upon Through Quantum Mechanics, Followed By All Types Of Spectroscopy. Every Aspect Is Explained With Some Typical Spectra. The Underlying Theory So Developed Will Help Students To Carry Out Spectral Analysis.Only Simple Quantum Mechanics Relevant To Simple Molecular Structure Has Been Given. Attempt Has Been Made To Relate The Characteristic Chemical Behavior Of These Molecules With Its Mo And Thus To Molecular Spectra. One Will Not Find Such Relationship In Any Book, But This Will Make Chemistry, As Such, Still More Interesting.Application Of Infrared And Ultra-Violet Spectroscopy, Nmr And Mass Spectra In Structure Determination Of Organic Molecules Are Very Elegantly Presented. In The Fourteenth Chapter, Lasers And Their Applications To Various Types Of Second, Third, And Fourth Order Scattering Spectroscopy Have Been Developed. The Book Has Minimum But Essential Mathematics With Very Easy Format In Its Text. Such An Approach Will Give A Clear Understanding Of The Subject And Provides Knowledge To Excel At Any Level University Examination, Competitive Examination, And Before Interview Boards.
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Mixed Valency Systems: Applications in Chemistry, Physics and Biology

Author: K. Prassides

Publisher: Springer Science & Business Media

ISBN: 9401136068

Category: Science

Page: 451

View: 7834

Mixed valency is one of various names used to describe compounds which contain ions of the same element in two different formal states of oxidation. The existence of mixed valency systems goes far back into the geological evolutionary history of the earth and other planets, while a plethora of mixed valency minerals has attracted attention since antiquity. Indeed, control of the oxidation states of Fe in its oxides (FeO, Fe304' Fe203) was elegantly used in vase painting by the ancient Greeks to produce the characteristic black and red Attic ceramics (Z. Goffer, "Archaeological Chemistry", Wiley, New York, 1980). It was, however, only 25 years ago that two reviews of mixed valency appeared in the literature almost simultaneously, signalling the first attempt to treat mixed valency systems as a separate class of compounds whose properties can be correlated with the molecular and the electronic structure of their members. Then mixed valency phenomena attracted the interest of disparate classes of scientists, ranging from synthetic chemists to solid state physicists and from biologists to geologists. This activity culminated with the NATO ASI meeting in Oxford in 1979. The 1980's saw again a continuing upsurge of interest in mixed valency. Its presence is a necessary factor in the search for highly conducting materials, including molecular metals and superconductors. The highly celebrated high T c ceramic superconducting oxides are indeed mixed valency compounds.
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