The Journal of Mathematical Chemistry (JOMC) publishes original, chemically important mathematical results which use non-routine mathematical methodologies often unfamiliar to the usual audience of mainstream experimental and theoretical chemistry journals. Furthermore JOMC publishes papers on novel applications of more familiar mathematical techniques and analyses of chemical problems which indicate the need for new mathematical approaches. Mathematical chemistry is a truly interdisciplinary subject, a field of rapidly growing importance. As chemistry becomes more and more amenable to mathematically rigorous study, it is likely that chemistry will also become an alert and demanding consumer of new mathematical results. The level of complexity of chemical problems is often very high, and modeling molecular behaviour and chemical reactions does require new mathematical approaches. Chemistry is witnessing an important shift in emphasis: simplistic models are no longer satisfactory, and more detailed mathematical understanding of complex chemical properties and phenomena are required. From theoretical chemistry and quantum chemistry to applied fields such as molecular modeling, drug design, molecular engineering, and the development of supramolecular structures, mathematical chemistry is an important discipline providing both explanations and predictions. JOMC has an important role in advancing chemistry to an era of detailed understanding of molecules and reactions.
Journal of Mathematical Chemistry
Description
Identifiers
ISSN | 0259-9791 |
e-ISSN | 1572-8897 |
DOI | 10.1007/10910.1572-8897 |
Publisher
Springer International Publishing
Additional information
Data set: Springer
Articles
Journal of Mathematical Chemistry > 2019 > 57 > 10 > 2248-2260
The Tutte poynomial T(G; x, y) of a graph G is a two-variable graph polynomial, and it gives interesting information about the graph. Many chemically interesting polycyclic polymers can be modeled by uniform or non-uniform polycyclic graphs. In this paper, we consider the Tutte poynomial of several classes of alternating polycyclic chains which contain phenylene chains and their dicyclobutadieno derivatives...
Journal of Mathematical Chemistry > 2019 > 57 > 10 > 2182-2194
The present study deals with the possibility that N-dimensional hypercubes vertices could be constructed with chosen sets, composed by a given number of n elements. That is by: n-ary sets. Application of this possibility is discussed using as examples the coloring of graphs and the Erdös–Faber–Lovász conjecture, as well as protein and RNA descriptions. The outcome of this discussion induces a possibility...
Journal of Mathematical Chemistry > 2019 > 57 > 10 > 2229-2247
Numerical simulations involving detailed kinetic combustion reaction mechanisms for long chain fuels are associated with prohibitive computational costs. Thus, there is the need for reduced kinetic mechanisms for the effective numerical simulation of these fuels. The objective of this work is the development of a skeletal mechanism of moderate stiffness for the methyl formate (MF). MF is not indicated...