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Structure, electronic properties, NBO, NLO and chemi-cal reactivity of bis (1, 4-dithiafulvalene) derivatives: functional density theory study Author: Tahar Abbaz, Amel Bendjeddou, Didier Villemin Pages: 18-25 Date Published: 20-12-2017 Download PDF View Full Article
Nonlinear optical investigation of (E)-1-(4-flourobenzylidene)urea using theoretical calculations Author: Tracy J, Dhandapani A, Bharanidharan Bharani Pages: 26-36 Date Published: 27-12-2017 Download PDF View Full Article
Synthesis photophysical studies of some furfurylnitrones: high-ly selective chemosensors for Zn2+ and DFT studies Author: Ezhumalai Dhineshkumar, Mathivanan Iyappan, Rajendran Ganapathi, Chinnadurai Anbuselvan Pages: 37-45 Date Published: 05-02-2018 Download PDF View Full Article
Antibacterial properties of AgNO3-activated carbon composite on Escherichia coli: inhibition action Author: Nkwaju Yanou Rachel, Baçaoui Abdelaziz, Ndi Julius Nsami, Kouotou Daouda, Yaacoubi Abdelrani, Lourrat Mehdi, Lafdi Khalid, Ketcha Mbadcam Joseph Pages: 46-52 Date Published: 12-02-2018 Download PDF View Full Article
Synthesis and vibrational spectral (FT-IR, FT-Raman) studies, NLO properties & NBO analysis of (E)-N'(thiophen-2yl methylene)isonicotinohydrazide using quantum chemical method Author: Nathiya A, Saleem H, Bharanidharan Bharani, Suresh M Pages: 53-66 Date Published: 14-02-2018 Download PDF View Full Article
Theoretical calculation of influence of halogen at-oms (F, Cl, Br, I) on arylazopyridine (Azpy) ruthenium complexes behaving as photo sensitizers by DFT method Author: N'guessan Kouakou Nobel, Ouattara Wawohinlin Patrice, Bamba Kafoumba, Ziao Nahossé Pages: 67-73 Date Published: 16-02-2018 Download PDF View Full Article
Structural investigation of sparfloxacin drug using mass spec-trometry and MNDO semi-empirical molecular orbital calcu-lations Author: Mamoun Sarhan Mahmoud Abd El-kareem, Mohamed ElDesawy, Mohamed Hawash, Magd El dain Fahmy Ahmed Pages: 74-78 Date Published: 01-03-2018 Download PDF View Full Article
Theoretical investigations of ZnO/CdO material – A DFT approach Author: Rackesh Jawaher, Indirajith R, Krishnan S, Bharanidharan Bharani, Robert R, Jerome Das S Pages: 79-84 Date Published: 10-03-2018 Download PDF View Full Article
Effect of light on persistence of imidacloprid in soil Author: Mohammed G.A. Elzorgani Pages: 85-88 Date Published: 13-03-2018 Download PDF View Full Article
Interesting Mechanistic Approach for Nitrogen Heterocycles of Industrial Importance Author: N.D. Zargar, K.Z. Khan Pages: 89-94 Date Published: 23-04-2018 Download PDF View Full Article
Probing the mechanism of xanthine oxidase and 2-amino xanthine: an implication of energy, charge bond order and wave function. Author: Mamaru Bitew Pages: 95-101 Date Published: 01-06-2018 Download PDF View Full Article
Kinetics and mechanism of the reduction of n-(2-hydroxyethyl)ethylenediaminetriacetatoiron(III) complex by thioglycol in bicarbonate buffer medium Author: I U. Nkole, C R. Osunkwo, A D. Onu, O D. Onu Pages: 102-107 Date Published: 05-06-2018 Download PDF View Full Article
Formulation, physicochemical evaluation and antimicrobial activity of green toothpaste on streptococcus mutans Author: Joel Ogboji, I. Y. Chindo, Aliyu Jauro, D Boryo, Lawal N. M. Pages: 108-113 Date Published: 05-06-2018 Download PDF View Full Article
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 Author: Tahar Abbaz, Amel Bendjeddou, Didier Villemin Pages: 114-120 Date Published: 05-06-2018 Download PDF View Full Article
Electron transfer reaction of Tris(1,10-phenanthroline)cobalt(III) complex [Co(phen)3]3+ and thiosulphate ion (S2O32−) in an aqueous acidic medium Author: C R. Osunkwo, I U. Nkole, A D. Onu, S O. Idris Pages: 121-126 Date Published: 12-06-2018 Download PDF View Full Article
Quantum chemical investigation of spectroscopic, electronic and NLO properties of (1E, 4E)-1-(3-nitrophenyl)-5-phenylpenta-1,4-dien-3-one Author: N Benhalima, S Yahiaoui, N Boubegra, M Boulakoud, Y Megrouss, A Chouaih, F Hamzaoui Pages: 121-131 Date Published: 12-06-2018 Download PDF View Full Article