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Unified Valence Bond Theory of Electronic Structure Applications.
Seller: Antiquariat Renner OHG, Albstadt, Germany
Association Member: BOEV
Seller rating 5 out of 5 stars
Softcover. Condition: Sehr gut. Berlin, Springer 1983. gr.8°. Many figs. VIII, 585 p. Pbck. Lecture Notes in Chemistry, 34.- Slightly browned.
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Unified Valence Bond Theory of Electronic Structure: Applications (Lecture Notes in Chemistry, 34)
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Applications of Electronic Structure Theory (Modern Theoretical Chemistry)
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Modern Electronic Structure Theory And Applications In Organic Chemistry
Language: English
Published by World Scientific Publishing Company, 1997
ISBN 10: 9810231687 ISBN 13: 9789810231682
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Modern Electronic Structure Theory And Applications In Organic Chemistry
Language: English
Published by World Scientific Publishing Company, 1997
ISBN 10: 9810231687 ISBN 13: 9789810231682
Seller: PBShop.store UK, Fairford, GLOS, United Kingdom
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Modern Electronic Structure Theory and Applications in Organic Chemistry
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Unified Valence Bond Theory of Electronic Structure: Applications (Lecture Notes in Chemistry)
Language: English
Published by Springer Berlin Heidelberg, 1983
ISBN 10: 3540120009 ISBN 13: 9783540120001
Paperback. Condition: Brand New. 600 pages. 9.61x6.69x1.36 inches. In Stock.
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Modern Electronic Structure Theory And Applications In Organic Chemistry
Seller: Ria Christie Collections, Uxbridge, United Kingdom
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Modern Electronic Structure Theory and Applications in Organic Chemistry
Seller: GreatBookPricesUK, Woodford Green, United Kingdom
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Unified Valence Bond Theory of Electronic Structure : Applications
Language: English
Published by Springer, Springer Vieweg, 1983
ISBN 10: 3540120009 ISBN 13: 9783540120001
Taschenbuch. Condition: Neu. Druck auf Anfrage Neuware - Printed after ordering - The bond diagrammatic representation of molecules is the foundation of MOVB theory. To a certain extent, this kind of representation is analogous to the one on which 'resonance theory' is based and this fact can be projected by a comparison of the various ways in which MOVB theory depicts a species made up of three core and two ligand MO's which define two subsystems containing a total of six electrons and the ways in which 'resonance theory' (i. e. , qualitative VB theory) depicts a six-electron-six-AO species such as the pi system of CH =CH-CH=CH-CH=O. The 2 different pictorial representations are shown in Scheme 1 so that the analogies are made evident. First of all, the total MOVB diagrammatic representation of the 6/5 species is obtained by a linear combination of three complete bond diagrams, as in Al, which describe the optimal linear combination of!l! MOVB Configuration Wavefunctions (CW's). By the same token, a total VB diagrammatic representation of the 6/6 species can be obtained by writing a 'dot structure', as in Bl, and taking this to mean the optimal linear combination of all VB CW's. Next, we can approxi mate the MOVB wavefunction of the 6/5 species by one complete (or detailed) bond dia gram' (A2). No simple VB representation analogy can be given in this case. Alterna tively, we can approximate the MOVB wavefunction by a linear combination of compact bond diagrams, as in A3, in the way described before.
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Taschenbuch. Condition: Neu. Unified Valence Bond Theory of Electronic Structure | Applications | N. D. Epiotis | Taschenbuch | viii | Englisch | 1983 | Springer | EAN 9783540120001 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu.
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Taschenbuch. Condition: Neu. Applications of Electronic Structure Theory | Henry Schaefer | Taschenbuch | xvi | Englisch | 2014 | Springer | EAN 9781468485431 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu.
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UNIFIED LALENCE BOND THEORY OF ELECTRONIC STRUCTURE APPLICATIONS (1983)
Published by Springer, Berlin, Heidelberg, New York,Tokyo, 1983
brossura. Condition: Good. 0. In 8, br. ed. pp. 585 ordinari segni del tempo, buon es.Luogo di pubblicazione Berlin, Heidelberg, New York,TokyoEditore SpringerAnno pubblicazione 1983Collana Lecture Notes in Chemistry-34Materia/Argomento Scienze, Chimica,Fisica, Elettronica ***Books dated over 70 years old are not exportable, please do not order.***. Book.
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Taschenbuch. Condition: Neu. Druck auf Anfrage Neuware - Printed after ordering - These two volumes deal with the quantum theory of the electronic structure of ab initio is the notion that approximate solutions molecules. Implicit in the term of Schrodinger's equation are sought 'from the beginning,' i. e. , without recourse to experimental data. From a more pragmatic viewpoint, the distin guishing feature of ab initio theory is usually the fact that no approximations are involved in the evaluation of the required molecular integrals. Consistent with current activity in the field, the first of these two volumes contains chapters dealing with methods per se, while the second concerns the application of these methods to problems of chemical interest. In a sense, the motivation for these volumes has been the spectacular recent success of ab initio theory in resolving important chemical questions. However, these applications have only become possible through the less visible but equally important efforts of those developing new theoretical and computational methods and models. Henry F. Schaefer vii Contents Contents of Volume 3 xv Chapter 1. A Priori Geometry Predictions 1. A. Pople 1. Introduction . . . . . . . . . . . . . . . . . . . 1 2. Equilibrium Geometries by Hartree-Fock Theory 2 2. 1. Restricted and Unrestricted Hartree-Fock Theories 2 2. 2. Basis Sets for Hartree-Fock Studies . . . . . 4 2. 3. Hartree-Fock Structures for Small Molecules . 6 2. 4. Hartree-Fock Structures for Larger Molecules 12 3. Equilibrium Geometries with Correlation . . 18 4. Predictive Structures for Radicals and Cations 20 5. Conclusions 23 References 24 Chapter 2. Barriers to Rotation and Inversion Philip W. Payne and Leland C.
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Modern Electronic Structure Theory and Applications in Organic Chemistry
Language: English
Published by World Scientific Pub Co Inc, 1997
ISBN 10: 9810231687 ISBN 13: 9789810231682
Paperback. Condition: Brand New. 379 pages. 9.00x6.25x1.25 inches. In Stock.
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Electronic Structure and Properties of Transition Metal Compounds : Theory and Applications
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Electronic Structure and Surfaces of Sulfide Minerals: Density Functional Theory and Applications
Language: English
Published by Elsevier Science Publishing Co Inc, 2020
ISBN 10: 0128179740 ISBN 13: 9780128179741
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