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- Handbook of Computational Quantum Chemistry

- Author : David B. Cook
- Publsiher : Courier Corporation
- Release : 02 August 2005
- ISBN : 0486443078
- Pages : 805 pages
- Rating : 4/5 from 21 reviews

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Read or download book entitled Handbook of Computational Quantum Chemistry written by David B. Cook which was release on 02 August 2005, this book published by Courier Corporation. Available in PDF, EPUB and Kindle Format. Book excerpt: This comprehensive text provides upper-level undergraduates and graduate students with an accessible introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations. Topics include the Hartree-Fock method; matrix SCF equations; implementation of the closed-shell case; introduction to molecular integrals; and much more. 1998 edition.

- Author : David B. Cook
- Publisher : Courier Corporation
- Release Date : 2005-08-02
- Total pages : 805
- ISBN : 0486443078

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**Summary :** This comprehensive text provides upper-level undergraduates and graduate students with an accessible introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations. Topics include the Hartree-Fock method; matrix SCF equations; implementation of the closed-shell case; introduction to molecular integrals; and much more. 1998 edition....

- Author : Joseph J W McDouall
- Publisher : Royal Society of Chemistry
- Release Date : 2015-11-09
- Total pages : 284
- ISBN : 0486443078

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**Summary :** Computational Quantum Chemistry presents computational electronic structure theory as practised in terms of ab initio waveform methods and density functional approaches. Getting a full grasp of the field can often prove difficult, since essential topics fall outside of the scope of conventional chemistry education. This professional reference book provides a ...

- Author : Charles M. Quinn
- Publisher : Elsevier
- Release Date : 2002-02-28
- Total pages : 237
- ISBN : 0486443078

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**Summary :** Computational Quantum Chemistry removes much of the mystery of modern computer programs for molecular orbital calculations by showing how to develop Excel spreadsheets to perform model calculations and investigate the properties of basis sets. Using the book together with the CD-ROM provides a unique interactive learning tool. In addition, because ...

- Author : Charles M. Quinn
- Publisher : Academic Press
- Release Date : 1863
- Total pages : 237
- ISBN : 0486443078

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**Summary :** Computational Quantum Chemistry removes much of the mystery of modern computer programs for molecular orbital calculations by showing how to develop Excel spreadsheets to perform model calculations and investigate the properties of basis sets. Using the book together with the CD-ROM provides a unique interactive learning tool. In addition, because ...

- Author : Ahmed A. Hasanein,Myron Wyn Evans
- Publisher : World Scientific
- Release Date : 1996
- Total pages : 241
- ISBN : 0486443078

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**Summary :** An account, from first principles, of the methods of numerical quantum mechanics. Coverage encompasses formulations and fundamental postulates; the Hamiltonian and angular momentum operators; and approximation of the solutions of the Schroedinger equation...

- Author : Charles M. Quinn,Patrick Fowler,David Redmond
- Publisher : Elsevier
- Release Date : 2010-07-26
- Total pages : 196
- ISBN : 0486443078

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**Summary :** 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 ...

- Author : Ram Yatan Prasad,Pranita
- Publisher : CRC Press
- Release Date : 2021-03-11
- Total pages : 691
- ISBN : 0486443078

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**Summary :** Computational Quantum Chemistry, Second Edition, is an extremely useful tool for teaching and research alike. It stipulates information in an accessible manner for scientific investigators, researchers and entrepreneurs. The book supplies an overview of the field and explains the fundamental underlying principles. It also gives the knowledge of numerous comparisons ...

- Author : Anonim
- Publisher : Unknown
- Release Date : 2021-05-15
- Total pages : 212
- ISBN : 0486443078

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**Summary :** Download or read online Exam Prep for Computational Quantum Chemistry written by , published by which was released on . Get Exam Prep for Computational Quantum Chemistry Books now! Available in PDF, ePub and Kindle....

- Author : Masoud Soroush
- Publisher : Elsevier
- Release Date : 2018-10-16
- Total pages : 384
- ISBN : 0486443078

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**Summary :** Computational Quantum Chemistry: Insights into Polymerization Reactions consolidates extensive research results, couples them with computational quantum chemistry (CQC) methods applicable to polymerization reactions, and presents those results systematically. CQC has advanced polymer reaction engineering considerably for the past two decades. The book puts these advances into perspective. It also allows ...

- Author : Errol G. Lewars
- Publisher : Springer Science & Business Media
- Release Date : 2010-11-10
- Total pages : 664
- ISBN : 0486443078

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**Summary :** This corrected second edition contains new material which includes solvent effects, the treatment of singlet diradicals, and the fundamentals of computaional chemistry. "Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics" is an invaluable tool for teaching and researchers alike. The book provides an overview of ...

- Author : Ilya Prigogine,Stuart A. Rice
- Publisher : John Wiley & Sons
- Release Date : 2009-09-09
- Total pages : 812
- ISBN : 0486443078

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**Summary :** The use of quantum chemistry for the quantitative prediction of molecular properties has long been frustrated by the technical difficulty of carrying out the needed computations. In the last decade there have been substantial advances in the formalism and computer hardware needed to carry out accurate calculations of molecular properties ...

- Author : Alan Hinchliffe
- Publisher : Unknown
- Release Date : 1988
- Total pages : 112
- ISBN : 0486443078

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**Summary :** Download or read online Computational Quantum Chemistry written by Alan Hinchliffe, published by which was released on 1988. Get Computational Quantum Chemistry Books now! Available in PDF, ePub and Kindle....

- Author : Geerd H.F. Diercksen,B.T. Sutcliffe,A. Veillard
- Publisher : Springer Science & Business Media
- Release Date : 2012-12-06
- Total pages : 568
- ISBN : 0486443078

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**Summary :** This book contains the transcripts of the lectures presented at the NATO Advanced study Institute on "Computational Techniques in Quantum Chemistry and Molecular Physics", held at Ramsau, Germany, 4th - 21st Sept. 1974. Quantum theory was developed in the early decades of this century and was first applied to problems in ...

- Author : Clifford Dykstra,Gernot Frenking,Kwang Kim,Gustavo Scuseria
- Publisher : Elsevier
- Release Date : 2011-10-13
- Total pages : 1336
- ISBN : 0486443078

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**Summary :** Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common questions vary from molecular geometry to the physical properties of substances. Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on ...

- Author : Abby L. Parrill,Kenneth B. Lipkowitz
- Publisher : John Wiley & Sons
- Release Date : 2017-04-10
- Total pages : 388
- ISBN : 0486443078

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**Summary :** The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling. • Provides background and theory, strategies for using the methods correctly, pitfalls to avoid, applications, and references • Contains updated and comprehensive compendiums of molecular ...