Vol. 6 No. 1 (2018)

Articles

• Characterization of commercial detergents and natural cleansing agents with comparison of their potential for biodegradability

  Anjali Mer, Rajesh Samant, Prabha Padmanabha

  1-7

  • 

• 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

  8-17

  • 

• 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

  18-25

  • 

• Nonlinear optical investigation of (E)-1-(4-flourobenzylidene)urea using theoretical calculations

  Tracy J, Dhandapani A, Bharanidharan Bharani

  26-36

  • 

• Synthesis photophysical studies of some furfurylnitrones: high-ly selective chemosensors for Zn2+ and DFT studies

  Ezhumalai Dhineshkumar, Mathivanan Iyappan, Rajendran Ganapathi, Chinnadurai Anbuselvan

  37-45

  • 

• 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

  46-52

  • 

• 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

  53-66

  • 

• 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

  67-73

  • 

• 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

  74-78

  • 

• Theoretical investigations of ZnO/CdO material – A DFT approach

  Rackesh Jawaher, Indirajith R, Krishnan S, Bharanidharan Bharani, Robert R, Jerome Das S

  79-84

  • 

• Effect of light on persistence of imidacloprid in soil

  Mohammed G.A. Elzorgani

  85-88

  • 

• Interesting Mechanistic Approach for Nitrogen Heterocycles of Industrial Importance

  N.D. Zargar, K.Z. Khan

  89-94

  • 

• Probing the mechanism of xanthine oxidase and 2-amino xanthine: an implication of energy, charge bond order and wave function.

  Mamaru Bitew

  95-101

  • 

• 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

  102-107

  • 

• Formulation, physicochemical evaluation and antimicrobial activity of green toothpaste on streptococcus mutans

  Joel Ogboji, I. Y. Chindo, Aliyu Jauro, D Boryo, Lawal N. M.

  108-113

  • 

• Molecular structure, NBO analysis, ï¬rst hyper polarizability, and homo-lumo studies of Ï€-extended tetrathiafulvalene (EXTTF) derivatives connected to Ï€-nitro phenyl by density functional method

  Tahar Abbaz, Amel Bendjeddou, Didier Villemin

  114-120

  • 

• 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

  121-126

  • 

• 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

  121-131

  •