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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 : /5 from reviews

GET THIS BOOKHandbook of Computational Quantum Chemistry

Download or read book entitled *Handbook of Computational Quantum Chemistry* by author: *David B. Cook* which was release on *02 August 2005* and published by *Courier Corporation* with total page 805 pages . This book available in PDF, EPUB and Kindle Format. 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 : 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 : 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 : Anonim
- Publisher : Unknown
- Release Date : 2021-04-11
- Total pages : 212
- ISBN : 0486443078

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

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

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

- Author : A A Hasanein,M W Evans
- Publisher : World Scientific
- Release Date : 1996-07-04
- Total pages : 256
- ISBN : 0486443078

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**Summary :** This book provides a comprehensive account, from first principles, of the methods of numerical quantum mechanics, beginning with formulations and fundamental postulates. The development continues with that of the Hamiltonian and angular momentum operators, and with methods of approximating the solutions of the Schroedinger equation with variational and perturbation methods. ...

- Author : Taku Onishi
- Publisher : Springer
- Release Date : 2017-09-22
- Total pages : 290
- ISBN : 0486443078

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**Summary :** This book is for both theoretical and experimental chemists to begin quantum molecular orbital calculations for functional materials. First, the theoretical background including the molecular orbital calculation method and modelling are explained. This is followed by an explanation of how to do modelling and calculation and to interpret calculated molecular ...

- 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 ...