A Toy Model of Chemical Reaction Networks - TBI - UniversitÃ¤t Wien

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64 APPENDIX C. ORGANIC REACTIONS - Kiliani-Fischer Synthesis - Knoevenagel Condensation - Koenigs-Knorr Synthesis - Mannich Reaction - Meerwein-Ponndorf-Verley Reduction - Michael Condensation - Reformatskii Reaction - Wagner-Meerwein Rearrangement - Wittig Reaction - Wolff-Kishner Reduction - Wurtz Reaction or - Basic/Nucleophilic - Acidic/Electrophilic - Electrophilic Aromatic Substitution (EAS), - Radical - Heterocyclic - Pericyclic - Oxidative/Reductive - Carbene - Organometallic - Photochemical
Bibliography [1] R. Albert and A.-L. Barabasi. Statistical mechanics of complex networks. Rev. Mod. Phys., 74:47–97, 2002. [2] N. W. Alcock. Bonding and Structure. Ellis Horwood, 1990. http://www.iumsc.indiana.edu/radii.html. [3] L. A. N. Amaral, A. Scala, M. Barthelemy, and H. E. Stanley. Classes of small-world networks. Proc. Nat. Acad. Sci., 97:11149–11152, 2000. [4] A. B. Anderson. Electron density distribution functions and the ASED- MO theory. Int. J. Quant. Chem., 49:581–589, 1994. [5] A. B. Anderson and R. Hoffmann. Description of diatomic molecules using one lectron configuration energies with two-body interactions. J. Chem. Phys., 60:4271–4273, 1974. [6] A. P. Arkin. Synthetic cell biology. Curr. Opin. Biotech., 12:638–644, 2001. [7] L. Babai. Lecture Notes in Computer Sciences : Fundamentals of Computation Theory, chapter Moderately exponential bound for graph isomorphism, pages 34–50. Springer, 1981. [8] R. J. Bagley and J. D. Farmer. Spontaneous emergence of a metabolism. In C. G. Langton, C. Taylor, J. D. Farmer, and S. Rasmussen, editors, Artificial Life II, pages 93–140, Redwood City, CA, 1992. Addison-Wesley. [9] A. A. Balandin. Multiplet theory of catalysis: Theory of hydrogenation. Classification of organic catalytic reactions. Algebra applied to strucutral chemistry, volume 3. Moscow State Univ., 1970. in Russian. [10] A.-L. Barabasi and R. Albert. Emergence of scaling in random networks. Science, 286:509–512, 1999. 65
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A Toy Model of Chemical Reaction Ne
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i Dank an alle, die zum Gelingen di
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v Zusammenfassung Chemische Reaktio
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viii CONTENTS B GRW 61 C Organic re
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2 CHAPTER 1. INTRODUCTION ▽ △
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4 CHAPTER 1. INTRODUCTION ¡ ¡ ¡
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6 CHAPTER 1. INTRODUCTION and symme
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8 CHAPTER 2. ARTIFICIAL CHEMISTRIES
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10 CHAPTER 2. ARTIFICIAL CHEMISTRIE
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12 CHAPTER 2. ARTIFICIAL CHEMISTRIE
Page 25 and 26: 3.1. EXTENDED HÜCKEL THEORY 15 is
Page 27 and 28: 3.2. FURTHER APPROXIMATIONS 17 K. F
Page 29 and 30: 3.2. FURTHER APPROXIMATIONS 19 Figu
Page 31 and 32: 3.2. FURTHER APPROXIMATIONS 21 are
Page 33 and 34: 3.3. CHEMICAL STRUCTURE REPRESENTAT
Page 35 and 36: 3.3. CHEMICAL STRUCTURE REPRESENTAT
Page 37 and 38: 3.4. WAVE FUNCTION ANALYSIS 27 Derw
Page 39 and 40: Table 3.6: Overlap matrix for prope
Page 41 and 42: 3.5. PERFORMANCE 31 3.5 Performance
Page 43 and 44: 3.6. FRONTIER MOLECULAR ORBITAL THE
Page 45 and 46: Chapter 4 Chemical reactions A mole
Page 47 and 48: 4.1. GRAPH REWRITING 37 Graphical t
Page 49 and 50: 4.1. GRAPH REWRITING 39 C C C C C C
Page 51 and 52: 4.2. GRAPH REWRITE ENGINE 41 O O O
Page 53 and 54: Chapter 5 Reaction networks 5.1 Net
Page 55 and 56: 5.3. NETWORK PROPERTIES 45 O 3 NO 3
Page 57 and 58: 5.3. NETWORK PROPERTIES 47 (see ch.
Page 59 and 60: Chapter 6 Computational results Whe
Page 61 and 62: O O O O O O O O O O O O O O O O O O
Page 63 and 64: 6.3. GRAPH-THEORETIC PROPERTIES 53
Page 65 and 66: Chapter 7 Conclusion and Outlook Th
Page 67 and 68: Using the rules of mass action kine
Page 69 and 70: Appendix A Parameters The energy ca
Page 71 and 72: Appendix B GRW GRW is implemented i
Page 73: Appendix C Organic reactions Fromht
Page 77 and 78: BIBLIOGRAPHY 67 [25] O. Diels and K
Page 79 and 80: BIBLIOGRAPHY 69 [50] J. Gasteiger a
Page 81 and 82: BIBLIOGRAPHY 71 [76] W. Langenbeck.
Page 83 and 84: BIBLIOGRAPHY 73 [102] S. Schuster,
Page 85: BIBLIOGRAPHY 75 [126] R. Woodward a
Page 89 and 90: The Wooing of Archibald Modern tren
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