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The Energy of Chemical Graphs Related to Nanostructures in the Case of Alternate Polycyclic Conjugated Hydrocarbons and its computation

Rushina Natu1

Section:Research Paper, Product Type: Isroset-Conference
Vol.1 , Issue.1 , pp.9-18, Dec-2014


Online published on Jan 05, 2014


Copyright © Rushina Natu . This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
 

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IEEE Style Citation: Rushina Natu, “The Energy of Chemical Graphs Related to Nanostructures in the Case of Alternate Polycyclic Conjugated Hydrocarbons and its computation,” International Journal of Scientific Research in Chemical Sciences, Vol.1, Issue.1, pp.9-18, 2014.

MLA Style Citation: Rushina Natu "The Energy of Chemical Graphs Related to Nanostructures in the Case of Alternate Polycyclic Conjugated Hydrocarbons and its computation." International Journal of Scientific Research in Chemical Sciences 1.1 (2014): 9-18.

APA Style Citation: Rushina Natu, (2014). The Energy of Chemical Graphs Related to Nanostructures in the Case of Alternate Polycyclic Conjugated Hydrocarbons and its computation. International Journal of Scientific Research in Chemical Sciences, 1(1), 9-18.

BibTex Style Citation:
@article{Natu_2014,
author = {Rushina Natu},
title = {The Energy of Chemical Graphs Related to Nanostructures in the Case of Alternate Polycyclic Conjugated Hydrocarbons and its computation},
journal = {International Journal of Scientific Research in Chemical Sciences},
issue_date = {12 2014},
volume = {1},
Issue = {1},
month = {12},
year = {2014},
issn = {2347-2693},
pages = {9-18},
url = {https://www.isroset.org/journal/IJSRCS/full_paper_view.php?paper_id=233},
publisher = {IJCSE, Indore, INDIA},
}

RIS Style Citation:
TY - JOUR
UR - https://www.isroset.org/journal/IJSRCS/full_paper_view.php?paper_id=233
TI - The Energy of Chemical Graphs Related to Nanostructures in the Case of Alternate Polycyclic Conjugated Hydrocarbons and its computation
T2 - International Journal of Scientific Research in Chemical Sciences
AU - Rushina Natu
PY - 2014
DA - 2016/01/05
PB - IJCSE, Indore, INDIA
SP - 9-18
IS - 1
VL - 1
SN - 2347-2693
ER -

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Abstract :
The structure factor represents the gross part of Energy which is identified with the help of graph theory. The total energy determined in the case of benzenoid structures is more than 99.5%. The present study is aimed to use well known. Topological index, Padmakar Ivan index for modeling of alternate polycyclic conjugated hydrocarbons.

Key-Words / Index Term :
Nanostructures, Conjugated Hydrocarbons, Cioslowski’s formula

References :
[1]. Diudea, M.V.; Florescu, M.S.; Khadikar, P.V. Molecular Topology and Its Applications, EFICON, Bucharest, 2006, 412 pp.
[2]. C. Hansch, A. Leo, In Exploring QSAR : Fundamental and application in chemistry and biology,S.R. Heller, Ed. American Chemical Society: Washington, DC. (1995).
[3]. M.Karelson, Molecular descriptors in QSAR/QSPR, Wiely-Interscience (2000).
[4]. M.V. Diudea, M.S. Florescn, P.V. Khadikar, Molecular topology and its applications, EFICON Press: Bucarest. (2006)
[5]. C. Hansch, B.R. Telzer, L. Zhang, Crit. Rev. Toxicol. 25, 67-89. (1995).
[6]. H. Branes, Mamalian toxicology - property prediction and QSAR technique, Peter Fisk Associates Whitestable : Kent. (2004)
[7]. M.V. Diudea, (Ed) QSPR/QSAR Studies by Molecular Descriptors, Nova Science, (2000)
[8]. J. Devillers, A.T. Balaban, (Eds) Topological Indices and Related Descriptors in QSAR and QSPR, Gordon & Breach Science Pub., Amesterdam (The Netherlands), (1999).
[9]. M.V. Diudea, (Ed) QSPR/QSAR Studies by Molecular Descriptors, Nova Science (2000)
[10]. D. Janezic, Nikolic, T.N. Sonja, Graph theoretical matrices in chemistry, University of Kragujevac, Faculty of Science, Kragujevac, 205 (2007).
[11]. Wiener, H; J.Am. Chem. Soc., 69. 17, (1947).
[12]. Hosoya, H.;
[13]. Khadikar, P.V.; Deshpande, N.V.; Kale, P.P.; Dabrynin, A.; Gutman, I.; Domotor, G. The Szeged Index and an Analogy with the Wiener Index, J.Chem. Inf. Comput. Sci., 1995, 35, 545-550.
[14]. Gutman, I.; Khadeikar, P.V.; Rajput, P.V.; Karmarkar, S., The Szeged Index of Polyacenes, J.Serb. Chem. Soc., 1995, 60, 759-764.
[15]. Khadikar, P.V.; Karmarkar, S.; Joshi, S.; Gutman, I., Estimation of Protonation Constants of Salicylhydroxamic Acids by Means of the Wiener Topological Index, J.Serb. Chem. Soc., 1996, 61, 89-95.
[16]. Gutman, I.; Popovic, L.; Khadikar, P.V. Karmarkar, S.; Joshi, S.; Mandloi, M., Relations between Wiener and Szeged Indices of Monocyclic Molecules, Commum, Math. Comput. Chem. (MATCH). 1997. 35, 91-103.
[17]. Gutman, I.; Khadikar, P.V. Karmarkar, J.; Wiener and Szeged Indices of Benzenoid Hydrocarbons Containing a Linear Polyacene Fragment, Commum, Matth. Comput. Chem. (MATCH). 1997. 35, 1051-116.
[18]. Gutman, I. Personal Communication, 1994.
[19]. Khadikar, P.V., On a Novel Structural Descriptor PI, Nat. Acad. Sci. Lett. 2000, 23,113-118.
[20]. Khadikar P.V.; Karmarkar , S.; Agrawal, V.K., PI Index of Polyacenes and its Use in Developing QSPR, Nat, Acad. Sci. Lett. 2000, 23, 124-128.

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