AN INTRODUCTION

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Mathematics of Chemistry
Problems Involving Equations
Solutions
Submitted by: Amna Arshad
Submitted to: Sir Inam Ul Haq
Roll No: 3014
BS Chemistry 1st
Smester
University Of Education, Okara

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Table Of Contents
 Introduction
 Motivation or Objectives
 Importance & scope
 Comparison
 Findings
 Summary
 Conclusion
 References
University Of Education, Okara

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Introduction
 Mathematical chemistry is the area of research engaged in
novel applications of mathematics to chemistry; it concerns itself
principally with the mathematical modeling of chemical
phenomena.[1] Mathematical chemistry has also sometimes
been called computer chemistry, but should not be confused
with computational chemistry.
 Major areas of research in mathematical chemistry include
chemical graph theory, which deals with topology such as the
mathematical study of isomerism and the development of
topological descriptors or indices which find application in
quantitative structure-property relationships; and chemical
aspects of group theory, which finds applications in
stereochemistry and quantum chemistry.

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 Chemists need numerical information
concerning reactions, such as how much of a
substance is consumed, how long does this
take, how likely is the reaction to take place.
 Chemists work with a variety of different units,
with wildly different ranges, which one must
be able to use and convert with ease.

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Scope:
 "Computational chemistry uses the results of
theoretical chemistry, in particular, its branch
mathematical chemistry" is not, I think really
correct. The mathematics of the various
methods of computational chemistry are
important, but they are not considered, as far
as I can see, as mathematical chemistry. I
think there are similar problems with your edit
to mathematical chemistry

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Comparision
 The problem is that the sentence
"Mathematical chemistry is a branch of
theoretical chemistry defined as mathematical
modeling of chemical phenomena" is a half-
quote taken out context from a book review,
and as a consequence is too vague.

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 The problem is that the sentence
"Mathematical chemistry is a branch of
theoretical chemistry defined as
mathematical modeling of chemical
phenomena" is a half-quote taken out
context from a book review, and as a
consequence is too vague.

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 The basic models for mathematical chemistry
are molecular graph and topological index.
 In 2005 the International Academy of
Mathematical Chemistry (IAMC) was founded
in Dubrovnik (Croatia) by Milan Randić. The
Academy Members are 82 (2009) from all
over the world, comprising six scientists
awarded with a Nobel Prize.

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Graph

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Findings:
 Mathematics is used widely in chemistry as
well as all other sciences. Mathematical
calculations are absolutely necessary to
explore important concepts in chemistry

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Summary:
 A basic knowledge of some of the
mathematics that will be used in your
chemistry course, you will be well prepared to
deal with the concepts and theories of
chemistry.
 Its very important to explain the
mathematical behaviour of chemistry

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 The history of the approach may be traced
back into 19th century. Georg Helm published
a treatise titled "The Principles of
Mathematical Chemistry: The Energetics of
Chemical Phenomena" in 1894

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Conclusion
 After developing a mathematical formalism to
calculate the number of molecular structures
for alkanes and alkyl radicals that fulfil carbon
tetravalence, Cayley extended the problem to
calculate the number of molecular structures
fulfilling di- and trivalence, such as oxygen-
and boron-trees

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 Thank You

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Reference:
 www.hyle.org/journal/issues/18-1/restrepo-
villaveces.htm (31-1-15)
 www.electrochem.org/
 https://books.google.com.au/books?
isbn=041528791X