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Mathematical chemistry

Known as: Chemical mathematics 
Mathematical chemistry is the area of research engaged in novel applications of mathematics to chemistry; it concerns itself principally with the… 
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Related topics

Related topics

18 relations
Alexandru BalabanAnte GraovacChemical graph theoryCluster analysis

Broader (1)

Cheminformatics

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2015
2015
The Genus Distribution of Doubly Hexagonal Chains
By using the Transfer Matrix Method, explicit formulas for the embedding distribution of doubly hexagonal chain graphs are… 
2013
2013
ON THE FOURTH ATOM-BOND CONNECTIVITY INDEX OF ARMCHAIR POLYHEX NANOTUBES
G u v v N u S d ∈ =� and NG(u)={v ∈V(G)|uvE(G)}. In this paper, formula for calculating the above topological descriptor in… 
2013
2013
Philosophy of mathematical chemistry: A personal perspective
This article discusses the nature of mathematical chemistry, discrete mathematical chemistry in particular. Molecules and… 
2012
2012
Computation of dynamically equivalent and linearly conjugate reaction networks using optimization methods
2009
2009
Modeling A Microfluidic Capacitive Sensor for Metal Wear Debris Detection in Lubrication Oil
  • X. Xia
  • 2009
  • Corpus ID: 136124445
2004
2004
COREPA-M: A Multi-Dimensional Formulation of COREPA
Full Paper Recently, the COmmon REactivity PAttern (COREPA) approach was developed as a probabilistic classification method which… 
2004
2004
Minimally Kekulenoid π-networks and reactivity for acyclics
Graphs which admit exactly one Kekule structure are here termed »minimally Kekulenoid« and are suggested to be an interesting… 
2002
2002
Morgan trees and Dyck paths
A simple bijection is established between Morgan trees and Dyck paths. As a consequence, exact enumerative results for Morgan… 
1991
1991
J.J. van Laar (1860-1938). A mathematical chemist
Review
1988
Review
1988
Chemical graphs enumeration and chemical reactivity: thermodynamic and kinetic considerations
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