Computational Quantum Chemistry Ii The Group Theory Calculator
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Computational Quantum Chemistry Ii The Group Theory Calculator
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Author : Charles M. Quinn
language : en
Publisher: Elsevier
Release Date : 2010-07-26
Computational Quantum Chemistry Ii The Group Theory Calculator written by Charles M. Quinn and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-07-26 with Science categories.
Modern Computational Quantum Chemistry is indispensable for research in the chemical sciences. Computational Quantum Chemistry II - The Group Theory Calculator describes the group theory that the authors have developed in the past twenty-five years and illustrates how this approach, known as the 'Spherical Shell' method, can be applied to solve a variety of problems that benefit from a group theory analysis. To complement the theory, the book is supplied with a CD-ROM (Windows TM application), on which interactive files, based on EXCEL spreadsheet technology controlled by Visual Basic code, can be used to perform straightforwardly group-theory analyses for direct application to the simplification of physical problems in Chemistry, Physics and even Engineering Science.The Group Theory Calculator Web page is located at http://www.chemistry.nuim.ie/gt_calculator.htm. The primary purpose of this Web page is to identify and resolve any problems encountered while using the MS EXCEL files on the CD-ROM (included with the book). The Web page is maintained by Charles M. Quinn and allows readers to gain updates and news relating to this publication.* A comprehensive description of the authors' revolutionary group theory and structural chemistry methodology* A unique reference/ teaching work together with a CD-ROM filled with powerful interactive files that can be applied to solve group theory problems* Valuable companion for instructors, designers and students* Contains powerful calculators that are simple to use and do not require detailed knowledge for their application
Molecular Quantum Mechanics
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Author : Peter W. Atkins
language : en
Publisher: Oxford University Press
Release Date : 2011
Molecular Quantum Mechanics written by Peter W. Atkins and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011 with Science categories.
This text unravels those fundamental physical principles which explain how all matter behaves. It takes us from the foundations of quantum mechanics, through quantum models of atomic, molecular, and electronic structure, and on to discussions of spectroscopy, and the electronic and magnetic properties of molecules.
50th Anniversary Of Electron Counting Paradigms For Polyhedral Molecules
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Author : D. Michael P. Mingos
language : en
Publisher: Springer Nature
Release Date : 2022-01-01
50th Anniversary Of Electron Counting Paradigms For Polyhedral Molecules written by D. Michael P. Mingos and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-01-01 with Science categories.
The 50 Year Anniversary of the development of electron counting paradigms for polyhedral molecules is celebrated in two volumes of Structure and Bonding. Volume 1 covers the historical development, theoretical models and applications to boranes and metalloboranes.
Computational Chemistry
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Author : Errol G. Lewars
language : en
Publisher: Springer
Release Date : 2016-09-20
Computational Chemistry written by Errol G. Lewars and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-09-20 with Science categories.
This is the third edition of the successful text-reference book that covers computational chemistry. It features changes to the presentation of key concepts and includes revised and new material with several expanded exercises at various levels such as 'harder questions' for those ready to be tested in greater depth - this aspect is absent from other textbooks in the field. Although introductory and assuming no prior knowledge of computational chemistry, it covers the essential aspects of the subject. There are several introductory textbooks on computational chemistry; this one is (as in its previous editions) a unique textbook in the field with copious exercises (and questions) and solutions with discussions. Noteworthy is the fact that it is the only book at the introductory level that shows in detail yet clearly how matrices are used in one important aspect of computational chemistry. It also serves as an essential guide for researchers, and as a reference book.
Advances In Quantum Chemistry
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Author :
language : en
Publisher: Elsevier
Release Date : 2005-12-20
Advances In Quantum Chemistry written by and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005-12-20 with Science categories.
Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing 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, it provides a single vehicle for following progress in this interdisciplinary area. This volume continues the tradition with high quality and thorough reviews of various aspects of quantum chemistry. It contains a variety of topics on the use of quantum mechanical methods to calculate molecular properties including response properties. Linear and non-linear response methods have been developed and implemented for most of the approximate wave functions used in quantum chemistry, giving a range of computational methods of varying cost and accuracy. Thus it is presently possible to calculate for example excitation energies, linear and nonlinear optical properties, one- and multi-photon transition rates, and magnetically induced transition moments for a wide range of molecules and target accuracies. These calculations aid in the interpretation of a wide range of spectroscopy including electron spin resonance, nuclear magnetic resonance and magnetic circular dichroism and general laser spectroscopy.
Pharmaceutical Stress Testing
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Author : Steven W. Baertschi
language : en
Publisher: CRC Press
Release Date : 2016-04-19
Pharmaceutical Stress Testing written by Steven W. Baertschi and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-04-19 with Medical categories.
The second edition of Pharmaceutical Stress Testing: Predicting Drug Degradation provides a practical and scientific guide to designing, executing and interpreting stress testing studies for drug substance and drug product. This is the only guide available to tackle this subject in-depth. The Second Edition expands coverage from chemical stability
Proceedings Of Necc 1979 National Educational Computing Conference
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Author : Diana Harris
language : en
Publisher:
Release Date : 1979
Proceedings Of Necc 1979 National Educational Computing Conference written by Diana Harris and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1979 with Computer managed instruction categories.
Physical Chemistry Quantum Mechanics
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Author : Horia Metiu
language : en
Publisher: Garland Science
Release Date : 2006-02-21
Physical Chemistry Quantum Mechanics written by Horia Metiu and has been published by Garland Science this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-02-21 with Science categories.
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.
Chemoinformatics Theory Practice Products
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Author : Barry A. Bunin
language : en
Publisher: Springer Science & Business Media
Release Date : 2006-11-23
Chemoinformatics Theory Practice Products written by Barry A. Bunin and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-11-23 with Science categories.
Chemoinformatics: Theory, Practice & Products is an essential handbook for determining the right Chemoinformatics method or technology to use. There has been an explosion of new Chemoinformatics tools and techniques. Each technique has its own utility, scope, and limitations, as well as meeting resistance to use by experimentalists. The purpose of Chemoinformatics: Theory, Practice & Products is to provide computational scientists, medicinal chemists and biologists with unique practical information and the underlying theories relating to modern Chemoinformatics and related drug discovery informatics technologies. The book also provides a summary of currently available, state-of-the-art, commercial Chemoinformatics products, with a specific focus on databases, toolkits, and modelling technologies designed for drug discovery. It will be broadly useful as a reference text for experimentalists wishing to rapidly navigate the expanding field, as well asthe more expert computational scientists wishing to stay up to date.
Index Of Conference Proceedings Received
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Author : British Library. Lending Division
language : en
Publisher:
Release Date : 1982
Index Of Conference Proceedings Received written by British Library. Lending Division and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1982 with Conference proceedings categories.