Enumeration, Coding, and Complexity of Linear Reaction Mechanisms. Ekaterina Gordeeva , Danail Bonchev , Dimitar Kamenski , and Oleg N. Temkin. Journa...
Sep 24, 1996 - Lomonosov State Academy of Fine Chemical Technology, Moscow, ... of the multiroute reactions is made using the bipartite graph method.
ing graph theory to chemical kinetics and the mechanistic theory of complex reactions. Depicting Linear Mechanisms. Graphs and diagrams of various types ...
These subgraphs are the internal representations for a given class of reaction thus allowing for ..... exchange of molecular data with other modules for obtaining.
Jun 29, 2015 - theory, and specifically the use of spanning trees, provides the means to solve the kinetics of any catalytic network in a steady state regime ...
Jun 29, 2015 - As originally shown by King and Altman, graph theory, and specifically the use of spanning trees, provides the means to solve the kinetics of any catalytic network in a steady state regime, taking as input data all the rate constants.
Journal of Chemical Information and Computer Sciences 2002 42 (5), 1028-1042 ... Modeling Properties with Higher-Level Molecular Connectivity Descriptors. Lionello Pogliani .... Published online 1 July 1988. Published in print 1 July 1988.
Chemical Applications of Graph Theory. Part I. Fundamentals and Topological Indices. Peter J. Hansen and Peter C. Jurs. Pennsylvania State University, University Park, PA 16802. Graph theory is a subdiscipline of mathematics that is closely related t
such as "Draw structural formulas for all of the isomers of heptane". ... For simple problems ..... possible solutions to a structure elucidation problem from.
Jun 29, 2015 - As originally shown by King and Altman, graph theory, and specifically the use of spanning trees, provides the means to solve the kinetics of any catalytic network in a steady state regime, taking as input data all the rate constants.
As originally shown by King and Altman, graph theory, and specifically the use of spanning trees, provides the means to solve the kinetics of any catalytic network in a steady state regime, taking as input data all the rate constants. Herein, it is s
