Archive:: International Journal of Computational and Theoretical Chemistry:: Science Publishing Group

International Journal of Computational and Theoretical Chemistry

Archive

2024, Volume 12
1. Issue 1, Jun.
2023, Volume 11
1. Issue 1, Dec.
2022, Volume 10
1. Issue 2, Dec.
2. Issue 1, Jun.
2021, Volume 9
1. Issue 2, Dec.
2. Issue 1, Jun.
2020, Volume 8
1. Issue 2, Dec.
2. Issue 1, Jun.
2019, Volume 7
1. Issue 2, Dec.
2. Issue 1, Jun.
2018, Volume 6
1. Issue 2, Jun.
2. Issue 1, Mar.
2017, Volume 5
2016, Volume 4
2015, Volume 3
2014, Volume 2
2013, Volume 1
1. Issue 3, Nov.
2. Issue 2, Sep.

Volume 1, Issue 2, September 2013

Sadhana Polynomial and its Index of Hexagonal System Ba,b

Mohammad Reza Farahani

Issue: Volume 1, Issue 2, September 2013

Pages: 7-10

Received: 6 June 2013

Published: 10 September 2013

DOI: 10.11648/j.ijctc.20130102.11

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Abstract: Let G be an arbitrary graph. Two edges e=uv and f=xy of G are called co-distant (briefly: e co f) if they obey the topologically parallel edges relation. The Sadhana polynomial Sd(G,x), for counting qoc strips in G was defined by Ashrafi and co-authors as Sd(G,x)= cm(G,c)xE(G)-C where m(G,c), being the number of qoc strips of length c. This pol... Show More

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A Study on Structural Aspects of Indoline-2, 3-Dione-3-Oxime: Experimental and Theoretical Approach

K. Laxmi

Issue: Volume 1, Issue 2, September 2013

Pages: 11-17

Received: 8 August 2013

Published: 10 September 2013

DOI: 10.11648/j.ijctc.20130102.12

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Abstract: Indoline-2,3-dione-3-oxime(IDOX) was synthesized and characterized by IR, mass and 1H-NMR. The HyperChem 7.5 software was used for quantum mechanical calculations. The geometry optimization was carried out using Ab Initio method. The theoretical spectral data and QSAR parameters were generated with semi empirical single point AM1 method. The HOMO a... Show More

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