Theoretical Chemistry for Experimental Chemists

Theoretical Chemistry for Experimental Chemists

Author: Kazuyoshi Tanaka

Publisher: Springer Nature

Published: 2020-08-28

Total Pages: 201

ISBN-13: 9811571953

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This book presents active application aspects of theoretical chemistry, and is particularly intended for experimental chemists, ranging from graduate students to more professional researchers, who are developing new materials or searching for novel properties of the materials they work with. It not only addresses the fundamental aspects of theoretical chemistry but also provides abundant examples of applications based on the electronic structure analyses of actual systems. As the book demonstrates, these analyses can deepen our understanding of a variety of chemical phenomena, including the chemical reactivities and electronic properties of substances, in a bottom-up manner. By illustrating how electronic structure analyses can be effectively applied, the book introduces readers to the impressive potential of theoretical chemistry, which they can adapt for their own purposes, and without having to suffer through a parade of complex formulae.


Physical Chemistry: Kinetics

Physical Chemistry: Kinetics

Author: Horia Metiu

Publisher: Garland Science

Published: 2006-02-21

Total Pages: 191

ISBN-13: 1315314835

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This is a new undergraduate textbook on physical chemistry by Horia Metiu published as four separate paperback volumes. These four volumes on physical chemistry combine a clear and thorough presentation of the theoretical and mathematical aspects of the subject with examples and applications drawn from current industrial and academic research. By using the computer to solve problems that include actual experimental data, the author is able to cover the subject matter at a practical level. The books closely integrate the theoretical chemistry being taught with industrial and laboratory practice. This approach enables the student to compare theoretical projections with experimental results, thereby providing a realistic grounding for future practicing chemists and engineers. Each volume of Physical Chemistry includes Mathematica¬ and Mathcad¬ Workbooks on CD-ROM. Metiu's four separate volumes-Thermodynamics, Statistical Mechanics, Kinetics, and Quantum Mechanics-offer built-in flexibility by allowing the subject to be covered in any order. These textbooks can be used to teach physical chemistry without a computer, but the experience is enriched substantially for those students who do learn how to read and write Mathematica¬ or Mathcad¬ programs. A TI-89 scientific calculator can be used to solve most of the exercises and problems.


Molecular Physics and Elements of Quantum Chemistry

Molecular Physics and Elements of Quantum Chemistry

Author: Hermann Haken

Publisher: Springer Science & Business Media

Published: 2013-03-09

Total Pages: 412

ISBN-13: 3662030756

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This textbook introduces the molecular and quantum chemistry needed to understand the physical properties of molecules and their chemical bonds. It follows the authors' earlier textbook "The Physics of Atoms and Quanta" and presents both experimental and theoretical fundamentals for students in physics and physical and theoretical chemistry. The new edition treats new developments in areas such as high-resolution two-photon spectroscopy, ultrashort pulse spectroscopy, photoelectron spectroscopy, optical investigation of single molecules in condensed phase, electroluminescence, and light-emitting diodes.


Conical Intersections

Conical Intersections

Author: Wolfgang Domcke

Publisher: World Scientific

Published: 2004

Total Pages: 857

ISBN-13: 9812386726

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This invaluable book presents a systematic exposition of the current state of knowledge about conical intersections, which has been elaborated in research papers scattered throughout the chemical physics literature.


Combustion

Combustion

Author: J. Warnatz

Publisher: Springer Science & Business Media

Published: 2006-09-23

Total Pages: 389

ISBN-13: 3540453636

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This book provides a rigorous treatment of the coupling of chemical reactions and fluid flow. Combustion-specific topics of chemistry and fluid mechanics are considered and tools described for the simulation of combustion processes. This edition is completely restructured. Mathematical Formulae and derivations as well as the space-consuming reaction mechanisms have been replaced from the text to appendix. A new chapter discusses the impact of combustion processes on the atmosphere, the chapter on auto-ignition is extended to combustion in Otto- and Diesel-engines, and the chapters on heterogeneous combustion and on soot formation are heavily revised.


Molecular Physical Chemistry for Engineering Applications

Molecular Physical Chemistry for Engineering Applications

Author: Florin Emilian Daneș

Publisher: Springer Nature

Published: 2021-07-06

Total Pages: 383

ISBN-13: 3030638960

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This textbook introduces the molecular side of physical chemistry. It offers students and practitioners a new approach to the subject by presenting numerous applications and solved problems that illustrate the concepts introduced for varied and complex technical situations. The book offers a balance between theory, tools, and practical applications. The text aims to be a practical manual for solving engineering problems in industries where processes depend on the chemical composition and physical properties of matter. The book is organized into three main topics: (I) the molecular structure of matter, (II) molecular models in thermodynamics, and (III) transport phenomena and mechanisms. Part I presents methods of analysis of the molecular behavior in a given system, while the following parts use these methods to study the equilibrium states of a material system and to analyze the processes that can take place when the system is in a state of non-equilibrium, in particular the transport phenomena. Molecular Physical Chemistry for Engineering Applications is designed for upper-level undergraduate and graduate courses in physical chemistry for engineers, applied physical chemistry, transport phenomena, colloidal chemistry, and transport/transfer processes. The book will also be a valuable reference guide for engineers, technicians, and scientists working in industry. Offers modeling techniques and tools for solving exercises and practical cases; Provides solutions and conclusions so students can follow results more closely; Step-by-step problem solving enables students to understand how to approach complex issues.


Purification of Laboratory Chemicals

Purification of Laboratory Chemicals

Author: W.L.F. Armarego

Publisher: Elsevier

Published: 2003-03-07

Total Pages: 627

ISBN-13: 0080515460

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Now in its fifth edition, the book has been updated to include more detailed descriptions of new or more commonly used techniques since the last edition as well as remove those that are no longer used, procedures which have been developed recently, ionization constants (pKa values) and also more detail about the trivial names of compounds.In addition to having two general chapters on purification procedures, this book provides details of the physical properties and purification procedures, taken from literature, of a very extensive number of organic, inorganic and biochemical compounds which are commercially available. This is the only complete source that covers the purification of laboratory chemicals that are commercially available in this manner and format.* Complete update of this valuable, well-known reference* Provides purification procedures of commercially available chemicals and biochemicals* Includes an extremely useful compilation of ionisation constants