Unified Valence Bond Theory Of Electronic Structure
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Unified Valence Bond Theory Of Electronic Structure
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Author : N. D. Epiotis
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Unified Valence Bond Theory Of Electronic Structure written by N. D. Epiotis 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 2012-12-06 with Science categories.
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.
Unified Valence Bond Theory Of Electronic Structure
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Author : N. D. Epiotis
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Unified Valence Bond Theory Of Electronic Structure written by N. D. Epiotis 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 2012-12-06 with Science categories.
Unified Valence Bond Theory Of Electronic Structure
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Author : N. D. Epiotis
language : en
Publisher: Springer
Release Date : 1982
Unified Valence Bond Theory Of Electronic Structure written by N. D. Epiotis and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 1982 with Molecular orbitals categories.
Unified Valence Bond Theory Of Electronic Structure Applications
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Author : N. D. Epiotis
language : en
Publisher: Springer
Release Date : 1983
Unified Valence Bond Theory Of Electronic Structure Applications written by N. D. Epiotis and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 1983 with Science categories.
Unified Valence Bond Theory Of Electronic Structure
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Author : J R Larson
language : en
Publisher:
Release Date : 1982-05-01
Unified Valence Bond Theory Of Electronic Structure written by J R Larson and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1982-05-01 with categories.
Unified Valence Bond Theory Of Electronic Structure
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Author : Nicolaos D. Epiotis
language : es
Publisher:
Release Date : 1983
Unified Valence Bond Theory Of Electronic Structure written by Nicolaos D. Epiotis and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1983 with categories.
Molecules In Physics Chemistry And Biology
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Author : J. Maruani
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Molecules In Physics Chemistry And Biology written by J. Maruani 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 2012-12-06 with Science categories.
Volume 1: General Introduction to Molecular Sciences Volume 2: Physical Aspects of Molecular Systems Volume 3: Electronic Structure and Chemical Reactivity Volume 4: Molecular Phenomena in Biological Sciences
Molecules In Physics Chemistry And Biology
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Author : Jean Maruani
language : en
Publisher: Springer Science & Business Media
Release Date : 1988-12-31
Molecules In Physics Chemistry And Biology written by Jean Maruani 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 1988-12-31 with Science categories.
Volume 1: General Introduction to Molecular Sciences Volume 2: Physical Aspects of Molecular Systems Volume 3: Electronic Structure and Chemical Reactivity Volume 4: Molecular Phenomena in Biological Sciences
Synthon Model Of Organic Chemistry And Synthesis Design
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Author : Jaroslav Koca
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Synthon Model Of Organic Chemistry And Synthesis Design written by Jaroslav Koca 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 2012-12-06 with Science categories.
One of the most interesting fields of mathematically oriented chemical research is the so-called computer-assisted organic synthesis design. These lecture notes elaborate the mathematical model of organic chemistry, which offers formal concepts for unambiguous description of computer algorithms for organic synthesis design including retrosynthesis and reaction mechanisms. All definitions and theorems are supplemented by many illustrative examples. The model is closely related to the course of thinking of organic chemists. These notes will be useful for all theoretically oriented organic chemists who are interested in mathematical modelling of organic chemistry and computer-assisted organic synthesis design.
Elementary Introduction To Spatial And Temporal Fractals
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Author : L.T. Fan
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Elementary Introduction To Spatial And Temporal Fractals written by L.T. Fan 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 2012-12-06 with Science categories.
Fractals play an important role in modeling natural phenomena and engineering processes. And fractals have a close connection to the concepts of chaotic dynamics. This monograph presents definitions, concepts, notions and methodologies of both spatial and temporal fractals. It addresses students and researchers in chemistry and in chemical engineering. The authors present the concepts and methodologies in sufficient detail for uninitiated readers. They include many simple examples and graphical illustrations. They outline some examples in more detail: Perimeter fractal dimension of char particles, surface fractal dimension of charcoal; fractal analysis of pressure fluctuation in multiphase flow systems. Readers who master the concepts in this book, can confidently apply them to their fields of interest.