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• W44348003 abstract "Chemical reactions networks (CRN) occur in our metabolism, in planetary atmospheres, they are used in combinatorial chemistry, and in the study of chemical decay processes. We want to study the properties these networks have in common by simulating them. Available simulations range from chemically accurate quantum mechanical simulations to artificial chemistries like the λ-calculus, with transparent dynamics. The one extreme is slow and difficult to analyze, while the other extreme does not include thermodynamics and other important features of chemistry. Our model represents an intermediate level of abstraction. In analogy to the tree representation of the secondary structure of RNA, three-dimensional molecules are reduced to the topology of their graph representation. Using a parametrized Extended Huckel Theory, the graphs can then be submitted to a simple quantum mechanical wave function analysis. This yields for every graph an energy, its charge distribution, and molecular orbitals. Additionally, reaction mechanisms are abstracted by graph rewriting rules. The set of these rules thus specifies the chemistry of a CRN, i.e. its combinatorics. Directed by the energy and wave function shape of the reactants for every reaction, rewriting rules may be repeatedly applied. Thus a reaction network is generated from an initial set of molecules. The aim of this model is to provide a consistent framework in which generic properties of a chemical reaction network can be explored. Two example networks have been built and studied. A repetitive Diels-Alder network was shown to be scale-free and small-world, while the formose reaction network displayed both properties less pronouncedly." @default.
• W44348003 created "2016-06-24" @default.
• W44348003 creator A5028151046 @default.
• W44348003 date "2002-01-01" @default.
• W44348003 modified "2023-09-27" @default.
• W44348003 title "A Toy Model of Chemical Reaction Networks" @default.
• W44348003 cites W10340167 @default.
• W44348003 cites W1484033701 @default.
• W44348003 cites W1485161910 @default.
• W44348003 cites W1492040047 @default.
• W44348003 cites W1504770578 @default.
• W44348003 cites W1507445348 @default.
• W44348003 cites W1516033625 @default.
• W44348003 cites W1524489715 @default.
• W44348003 cites W1541318173 @default.
• W44348003 cites W1543796220 @default.
• W44348003 cites W1546391509 @default.
• W44348003 cites W1548551133 @default.
• W44348003 cites W1553139091 @default.
• W44348003 cites W1560182867 @default.
• W44348003 cites W1561767438 @default.
• W44348003 cites W1571932167 @default.
• W44348003 cites W1573790708 @default.
• W44348003 cites W1574470162 @default.
• W44348003 cites W1592104301 @default.
• W44348003 cites W1594139658 @default.
• W44348003 cites W159741332 @default.
• W44348003 cites W1782519005 @default.
• W44348003 cites W190356767 @default.
• W44348003 cites W1955933006 @default.
• W44348003 cites W1965798822 @default.
• W44348003 cites W1969591355 @default.
• W44348003 cites W1971788485 @default.
• W44348003 cites W1973328278 @default.
• W44348003 cites W1974672137 @default.
• W44348003 cites W1975147762 @default.
• W44348003 cites W1976834602 @default.
• W44348003 cites W1977951653 @default.
• W44348003 cites W1984886691 @default.
• W44348003 cites W1994537845 @default.
• W44348003 cites W1995525999 @default.
• W44348003 cites W1997187179 @default.
• W44348003 cites W2000547662 @default.
• W44348003 cites W2002031457 @default.
• W44348003 cites W2002236360 @default.
• W44348003 cites W2008620264 @default.
• W44348003 cites W2008844584 @default.
• W44348003 cites W2011214280 @default.
• W44348003 cites W2013737143 @default.
• W44348003 cites W2021930726 @default.
• W44348003 cites W2024686285 @default.
• W44348003 cites W2024963167 @default.
• W44348003 cites W2026467865 @default.
• W44348003 cites W2028807386 @default.
• W44348003 cites W2029353822 @default.
• W44348003 cites W2033788780 @default.
• W44348003 cites W2034690727 @default.
• W44348003 cites W2035031507 @default.
• W44348003 cites W2036546758 @default.
• W44348003 cites W2042566464 @default.
• W44348003 cites W2043894652 @default.
• W44348003 cites W2044813549 @default.
• W44348003 cites W2049684731 @default.
• W44348003 cites W2068196691 @default.
• W44348003 cites W2072848542 @default.
• W44348003 cites W2075966481 @default.
• W44348003 cites W2077796804 @default.
• W44348003 cites W2078734278 @default.
• W44348003 cites W2084694036 @default.
• W44348003 cites W2087361905 @default.
• W44348003 cites W2087908573 @default.
• W44348003 cites W2091692227 @default.
• W44348003 cites W2099039198 @default.
• W44348003 cites W2104085672 @default.
• W44348003 cites W2112090702 @default.
• W44348003 cites W2124052428 @default.
• W44348003 cites W2124637492 @default.
• W44348003 cites W2138278869 @default.
• W44348003 cites W2145600675 @default.
• W44348003 cites W2150049790 @default.
• W44348003 cites W2150641509 @default.
• W44348003 cites W2154860794 @default.
• W44348003 cites W2154878346 @default.
• W44348003 cites W2155418451 @default.
• W44348003 cites W2156720633 @default.
• W44348003 cites W2164620200 @default.
• W44348003 cites W2165738701 @default.
• W44348003 cites W2177127249 @default.
• W44348003 cites W2180641318 @default.
• W44348003 cites W2317779379 @default.
• W44348003 cites W2329634064 @default.
• W44348003 cites W2478374012 @default.
• W44348003 cites W2578972765 @default.
• W44348003 cites W2912299646 @default.
• W44348003 cites W2952350175 @default.
• W44348003 cites W2996592494 @default.
• W44348003 cites W3022136271 @default.
• W44348003 cites W428815929 @default.
• W44348003 cites W437886934 @default.
• W44348003 cites W578833111 @default.

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