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140122 ||| eng |
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|a 9783642932397
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| 100 |
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|a Epiotis, N. D.
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| 245 |
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|a Unified Valence Bond Theory of Electronic Structure
|h Elektronische Ressource
|b Applications
|c by N. D. Epiotis
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| 250 |
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|a 1st ed. 1983
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| 260 |
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|a Berlin, Heidelberg
|b Springer Berlin Heidelberg
|c 1983, 1983
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| 300 |
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|a VIII, 589 p
|b online resource
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|a One. The Conceptual Power of Molecular Orbital Valence Bond (MOVB) Theory -- 1. The Induced Deexcitation Model -- 2. Why do Organolithium Monomers have Strange Structures? -- 3. The Molecular Orbital-Valence Bond Theory of Excited States -- 4. The “Forbidden” World of Chemistry -- 5. The Concept of Natural Ligand Nonbonded Repulsion. The Ethane Paradigm -- 6. Conformational Isomerism of N2H4 and Derivatives. The Stereochemical Consequences of “Forbiddenness” Removal -- 7. Geometric Isomerism: The Simplest Illustrator of Orbital Symmetry Control of Molecular Stereochemistry -- 8. Structural Isomerism and the Electronic Basis for Ligand Segregation on C2 Cores -- 9. The Saga of “Hypervalent” Molecules -- 10. The Molecular Orbital-Valence Bond Theory of Inorganic Chemistry -- 11. How to build Bridges by Molecular Orbital-Valence Bond Theory: The Structures of A2X4 Molecules -- 12. Why Benzene prefers to substitute and an Olefin ilikes to add? -- 13. Why “Effective” Bonds exist when “Real” Bonds are Absent: The Electronic Structure of the (1.1.1.) Propellane -- 14. The Detailed Electronic Structure of Carbocyclic Molecules and the Concept of Superaromaticity -- 15. The Explicit Theory of “Real” Electrocyclizations of Closed and Open Shell Molecules -- Two. Beyond Monodeterminantal MO Theory -- 16. Frontier Configurations and a New Classification of Annulenes -- 17. Frontier Configuration Theory of Spin Selection -- 18. Why a Net Bond exists when it appears to be Nonexistent: The Electronic Structures of F2 and Inert Gas Fluorides -- 19. Chemical Anticooperativity and Sigma-Pi Hybridization -- 20. The Stereochemical Consequences of Coulomb Polarization in Ground State Molecules -- 21. The Qualitative Rationalization and Prediction of “Correlation Effects” in“Complex” Ground State Molecules -- Epilogue -- Erratum
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| 653 |
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|a Chemistry, Physical and theoretical
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| 653 |
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|a Theoretical Chemistry
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| 041 |
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|a eng
|2 ISO 639-2
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| 989 |
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|b SBA
|a Springer Book Archives -2004
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| 490 |
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|a Lecture Notes in Chemistry
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| 028 |
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|a 10.1007/978-3-642-93239-7
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| 856 |
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|u https://doi.org/10.1007/978-3-642-93239-7?nosfx=y
|x Verlag
|3 Volltext
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|a 541.2
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| 520 |
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|a 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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