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<Article>
<Journal>
				<PublisherName>University of Kashan</PublisherName>
				<JournalTitle>Iranian Journal of Mathematical Chemistry</JournalTitle>
				<Issn>2228-6489</Issn>
				<Volume>6</Volume>
				<Issue>1</Issue>
				<PubDate PubStatus="epublish">
					<Year>2015</Year>
					<Month>03</Month>
					<Day>01</Day>
				</PubDate>
			</Journal>
<ArticleTitle>Relationship Between Topological Indices and Thermodynamic Properties and of the Monocarboxylic Acids Applications in QSPR</ArticleTitle>
<VernacularTitle></VernacularTitle>
			<FirstPage>15</FirstPage>
			<LastPage>28</LastPage>
			<ELocationID EIdType="pii">8944</ELocationID>
			
<ELocationID EIdType="doi">10.22052/ijmc.2015.8944</ELocationID>
			
			<Language>EN</Language>
<AuthorList>
<Author>
					<FirstName>F.</FirstName>
					<LastName>Shafiei</LastName>
<Affiliation>Department of Chemistry, Science Faculty, Arak Branch, Islamic Azad University, Arak, Iran</Affiliation>

</Author>
</AuthorList>
				<PublicationType>Journal Article</PublicationType>
			<History>
				<PubDate PubStatus="received">
					<Year>2014</Year>
					<Month>10</Month>
					<Day>23</Day>
				</PubDate>
			</History>
		<Abstract>Topological indices are the numerical value associated with chemical constitution purporting for correlation of chemical structure with various physical properties, chemical reactivity or biological activity. Graph theory is a delightful playground for the exploration of proof techniques in Discrete Mathematics and its results have applications in many areas of sciences. One of the useful indices for examination of structure- property relationship is Randic&#039; index. In this study is represented the relationship between the Randic&#039;, Balaban and Szeged indices and Harary numbers to the enthalpies of combustion ( liquid), enthalpies of vaporization( gas), enthalpies of formation ( liquid) and enthalpies of sublimation ( ) of monocarboxylic acids (C2- C20) are established, and then, some useful topological indices for examination of the structure- property relationship are presented.</Abstract>
		<ObjectList>
			<Object Type="keyword">
			<Param Name="value">Topological indices</Param>
			</Object>
			<Object Type="keyword">
			<Param Name="value">Graph theory</Param>
			</Object>
			<Object Type="keyword">
			<Param Name="value">Monocarboxylic acid</Param>
			</Object>
			<Object Type="keyword">
			<Param Name="value">QSPR</Param>
			</Object>
		</ObjectList>
<ArchiveCopySource DocType="pdf">https://ijmc.kashanu.ac.ir/article_8944_42c0fe9fb5ea15ff42c016263779416c.pdf</ArchiveCopySource>
</Article>
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