Vol 6, No 1 (2018)

Vol 6, No 1 (2018)

Table of Contents

Articles

Characterization of commercial detergents and natural cleansing agents with comparison of their potential for biodegradability
Anjali Mer, Rajesh Samant, Prabha Padmanabha Pages: 1-7 DOI: 10.14419/ijac.v6i1.8505

Synthesis, spectral characterization (FT-IR and NMR) and DFT (Conformational analysis, molecular structure, HOMO-LUMO, UV-vis, NLO) computational studies on 2,2’-((1E,1’E)-phenazine-2,3 dilbis(azanylylidene))bis(methanyly- lidene))diphenol
Prabhakaran A, Dhinesh kumar E, Rajaraman D, Arockia doss M Pages: 8-17 DOI: 10.14419/ijac.v6i1.8601

Structure, electronic properties, NBO, NLO and chemi-cal reactivity of bis (1, 4-dithiafulvalene) derivatives: functional density theory study
Tahar Abbaz, Amel Bendjeddou, Didier Villemin Pages: 18-25 DOI: 10.14419/ijac.v6i1.8668

Nonlinear optical investigation of (E)-1-(4-flourobenzylidene)urea using theoretical calculations
Tracy J, Dhandapani A, Bharanidharan Bharani Pages: 26-36 DOI: 10.14419/ijac.v6i1.8719

Synthesis photophysical studies of some furfurylnitrones: high-ly selective chemosensors for Zn2+ and DFT studies
Ezhumalai Dhineshkumar, Mathivanan Iyappan, Rajendran Ganapathi, Chinnadurai Anbuselvan Pages: 37-45 DOI: 10.14419/ijac.v6i1.8896

Antibacterial properties of AgNO3-activated carbon composite on Escherichia coli: inhibition action
Nkwaju Yanou Rachel, Baçaoui Abdelaziz, Ndi Julius Nsami, Kouotou Daouda, Yaacoubi Abdelrani, Lourrat Mehdi, Lafdi Khalid, Ketcha Mbadcam Joseph Pages: 46-52 DOI: 10.14419/ijac.v6i1.9048

Synthesis and vibrational spectral (FT-IR, FT-Raman) studies, NLO properties & NBO analysis of (E)-N'(thiophen-2yl methylene)isonicotinohydrazide using quantum chemical method
Nathiya A, Saleem H, Bharanidharan Bharani, Suresh M Pages: 53-66 DOI: 10.14419/ijac.v6i1.9046

Theoretical calculation of influence of halogen at-oms (F, Cl, Br, I) on arylazopyridine (Azpy) ruthenium complexes behaving as photo sensitizers by DFT method
N'guessan Kouakou Nobel, Ouattara Wawohinlin Patrice, Bamba Kafoumba, Ziao Nahossé Pages: 67-73 DOI: 10.14419/ijac.v6i1.9026

Structural investigation of sparfloxacin drug using mass spec-trometry and MNDO semi-empirical molecular orbital calcu-lations
Mamoun Sarhan Mahmoud Abd El-kareem, Mohamed ElDesawy, Mohamed Hawash, Magd El dain Fahmy Ahmed Pages: 74-78 DOI: 10.14419/ijac.v6i1.9177

Theoretical investigations of ZnO/CdO material – A DFT approach
Rackesh Jawaher, Indirajith R, Krishnan S, Bharanidharan Bharani, Robert R, Jerome Das S Pages: 79-84 DOI: 10.14419/ijac.v6i1.9312

Effect of light on persistence of imidacloprid in soil
Mohammed G.A. Elzorgani Pages: 85-88 DOI: 10.14419/ijac.v6i1.9295

Interesting Mechanistic Approach for Nitrogen Heterocycles of Industrial Importance
N.D. Zargar, K.Z. Khan Pages: 89-94 DOI: 10.14419/ijac.v6i1.10382

Probing the mechanism of xanthine oxidase and 2-amino xanthine: an implication of energy, charge bond order and wave function.
Mamaru Bitew Pages: 95-101 DOI: 10.14419/ijac.v6i1.12175

Kinetics and mechanism of the reduction of n-(2-hydroxyethyl)ethylenediaminetriacetatoiron(III) complex by thioglycol in bicarbonate buffer medium
I U. Nkole, C R. Osunkwo, A D. Onu, O D. Onu Pages: 102-107 DOI: 10.14419/ijac.v6i1.10902

Formulation, physicochemical evaluation and antimicrobial activity of green toothpaste on streptococcus mutans
Joel Ogboji, I. Y. Chindo, Aliyu Jauro, D Boryo, Lawal N. M. Pages: 108-113 DOI: 10.14419/ijac.v6i1.10808

Molecular structure, NBO analysis, ﬁrst hyper polarizability, and homo-lumo studies of π-extended tetrathiafulvalene (EXTTF) derivatives connected to π-nitro phenyl by density functional method
Tahar Abbaz, Amel Bendjeddou, Didier Villemin Pages: 114-120 DOI: 10.14419/ijac.v6i1.11126

Electron transfer reaction of Tris(1,10-phenanthroline) cobalt(III) complex [Co(phen)3]3+ and thiosulphate ion (S2O32−) in an aqueous acidic medium
C R. Osunkwo, I U. Nkole, A D. Onu, S O. Idris Pages: 121-126 DOI: 10.14419/ijac.v6i1.11326

Quantum chemical investigation of spectroscopic, electronic and NLO properties of (1E, 4E)-1-(3-nitrophenyl)-5-phenylpenta-1,4-dien-3-one
N Benhalima, S Yahiaoui, N Boubegra, M Boulakoud, Y Megrouss, A Chouaih, F Hamzaoui Pages: 121-131 DOI: 10.14419/ijac.v6i1.11795

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