Results 1 to 10 of about 367,971 (281)
On RAF Sets and Autocatalytic Cycles in Random Reaction Networks
, 2014 The emergence of autocatalytic sets of molecules seems to have played an important role in the origin of life context. Although the possibility to reproduce this emergence in laboratory has received considerable attention, this is still far from being ...
A Filisetti +31 more
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Computing F-index, coindex and Zagreb polynomials of the kth generalized transformation graphs
Heliyon, 2020 In chemical graph theory, forgotten topological index or F-index plays a crucial role to collect information about the properties of chemical compounds. The kth generalized transformation graphs of a molecular graph preserve the entire information on the
Durbar Maji, Ganesh Ghorai
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Mathematics at the eve of a historic transition in biology
, 2017 A century ago physicists and mathematicians worked in tandem and established quantum mechanism. Indeed, algebras, partial differential equations, group theory, and functional analysis underpin the foundation of quantum mechanism.
Wei, Guo-Wei
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Finding weakly reversible realizations of chemical reaction networks using optimization
, 2011 An algorithm is given in this paper for the computation of dynamically equivalent weakly reversible realizations with the maximal number of reactions, for chemical reaction networks (CRNs) with mass action kinetics.
Hangos, Katalin M. +2 more
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GLC actors, artificial chemical connectomes, topological issues and knots [PDF]
, 2013 Based on graphic lambda calculus, we propose a program for a new model of asynchronous distributed computing, inspired from Hewitt Actor Model, as well as several investigation paths, concerning how one may graft lambda calculus and knot ...
Buliga, Marius, Kauffman, Louis H.
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Journal of Chemistry, 2018 Chemical graph theory is a branch of mathematical chemistry which has an important effect on the development of the chemical sciences. The study of topological indices is currently one of the most active research fields in chemical graph theory ...
Young Chel Kwun +4 more
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Scientific ReportsA new area of applied chemistry called chemical graph theory uses combinatorial techniques to explain the complex interactions between atoms and bonds in chemical systems. This work investigates the use of edge partitions to decipher molecular connection
Muhammad Farhan Hanif +3 more
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Steiner distance in chemical graph theory
, 2021 Steiner distance dG(S) is a natural generalization of the concept of distance in a graph. For a connected graph G of order at least 2 and S ⊆ V (G), dG(S) is equal to the minimum size among all connected subgraphs whose vertex sets are equal to the set S.
Mao, Yaping, Furtula, Boris
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O nekim zanimljivim rezultatima postignutim u Hrvatskoj u području kemijske teorije grafova (On Some Interesting Results Achieved in Chemical Graph Theory in Croatia) [PDF]
Kemija u Industriji, 2006 Some interesting results achieved in chemical graph theory in Theoretical Chemistry Group at the Rugjer Bošković Institute are briefly reviewed. In the article are discussed the use of the Sachs theorem for the construction of the characteristic ...
Trinajstić, N.
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A graph theory-based algorithm for the reduction of atmospheric chemical mechanisms
PNAS NexusAbstract The atmospheric chemistry of volatile organic compounds (VOC) has a major influence on atmospheric pollutants and particle formation. Accurate modeling of this chemistry is essential for air quality models. Complete representations of VOC oxidation chemistry are far too large for spatiotemporal simulations of the atmosphere ...
Forwood Wiser +11 more
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