Volume 8 (2020)
Volume 7 (2019)
Volume 6 (2018)
Volume 5 (2017)
Volume 4 (2016)
Volume 3 (2015)
Volume 2 (2014)
Number of Articles: 11
The effects of F2 adsorption on NMR parameters of undoped and 3C-doped (8, 0) zigzag BPNTs
Volume 4, Issue 1, pp. 1-132, Serial No. 10 , January 2016, Pages 1-12
Abstract
In this research, we studied the structure, properties and NMR parameters of interaction F2 gas with pristine and 3C-doped (8, 0) zigzag models of boron phosphide nanotubes (BPNTs). in order to reach these aims, we considered four different configurations for adsorption of F2gas on the outer and inner ... Read More)
Solvent-free and one-pot Biginelli synthesis of 3,4-dihydropyrimidin-2(1H)-ones and 3,4-dihydropyrimidin-2(1H)-thiones using ionic liquid N,N-diethyl-N-sulfoethanammonium chloride {[Et3N–SO3H]Cl} as a green catalyst
Volume 4, Issue 1, pp. 1-132, Serial No. 10 , January 2016, Pages 13-20
Abstract
In this work, the ionic liquid triethylamine-bonded sulfonic acid {[Et3N–SO3H]Cl}, N,N-diethyl-N-sulfoethanammonium chloride was used as a green acidic homogeneous catalyst to synthesis of 3,4-dihydropyrimidin-2(1H)-ones and 3,4-dihydropyrimidin-2(1H)-thiones as two categories of heterocycles, ... Read More![Solvent-free and one-pot Biginelli synthesis of 3,4-dihydropyrimidin-2(1H)-ones and 3,4-dihydropyrimidin-2(1H)-thiones using ionic liquid N,N-diethyl-N-sulfoethanammonium chloride {[Et3N–SO3H]Cl} as a green catalyst](javascript:loadModal('Solvent-free and one-pot Biginelli synthesis of 3, ... ', 'data/icc/coversheet/911438698088.jpg'))
Adsorption and Neutralization Chemistry of Dimethyl Methyl Phosphonate (DMMP) as an Organo-Phosphorous Pollutant (OPP) on the Surface of Nano-Structured Co3O4 and MnCo2O4 Catalysts
Volume 4, Issue 1, pp. 1-132, Serial No. 10 , January 2016, Pages 21-41
Abstract
In this work, the practicality of catalytic surfaces of nano-structured Co3O4 and MnCo2O4 for the adsorption and neutralization reactions of dimethyl methyl phosphonate (DMMP) as an toxic agricultural organo-phosphorous pesticide has been investigated. The Co3O4 and MnCo2O4 NPs have been successfully ... Read More)
The three-component reaction of 2-(2-oxopropyl)isoindoline-1,3-dione with alkyl isocyanides and aromatic carboxylic acids under catalyst-free conditions in water
Volume 4, Issue 1, pp. 1-132, Serial No. 10 , January 2016, Pages 42-56
Abstract
A green and convenient protocol is described for the preparation of 1-(alkylamino)-3-(1,3-dioxoisoindolin-2-yl)-2-methyl-1-oxopropan-2-yl benzoates via one-pot three-component reaction between 2-(2-oxopropyl)isoindoline-1,3-dione, an alkyl isocyanide and an aromatic carboxylic acid in water at room temperature. ... Read Moreiso ... ', 'data/icc/coversheet/141442261247.jpg'))
An efficient one-Pot green synthesis of 4H-Benzo[b]pyrans using guanidinium chloride as polyfunctional organocatalyst
Volume 4, Issue 1, pp. 1-132, Serial No. 10 , January 2016, Pages 57-66
Abstract
A simple, efficient, and high yielding one-pot protocol has been developed for the synthesis of 4H-benzo[b]pyrans scaffolds installing a three-component tandem Knoevenagel-cyclocondensation reaction of an aldehyde, malononitrile and dimedone using guanidinium chloride as polyfunctional organocatalyst ... Read More![An efficient one-Pot green synthesis of 4H-Benzo[b]pyrans using guanidinium chloride as polyfunctional organocatalyst](javascript:loadModal('An efficient one-Pot green synthesis of 4H-Benzo[b ... ', 'data/icc/coversheet/141439611140.png'))
Performance of polyaniline/manganese oxide-MWCNT Nanocomposites as Supercapacitors
Volume 4, Issue 1, pp. 1-132, Serial No. 10 , January 2016, Pages 67-77
Abstract
Composite electrodes of polyaniline/MnO2-Multi walled carbon nanotube (PANI/MnO2-MWCNT), MnO2-MWCNT nanocomposites and MWCNT was produced by the in situ direct coating approach. The supercapacitor performance of the nanocomposites was studied by Fourier transform infrared (FT-IR) spectroscopy and scanning ... Read More)
A study on the comparison between thermodynamics and kinetics of reaction of the ozone and mercury, silver and gold
Volume 4, Issue 1, pp. 1-132, Serial No. 10 , January 2016, Pages 78-93
Abstract
In this work, we report results of calculations based on the density functional theory of different species metal-ozone, containing mercury, silver and gold. The chosen species range from small molecules and large transition-metal containing ozone with mercury, silver and gold complexes. A comparative ... Read More)
1,3-Disulfonic acid imidazolium hydrogen sulfate {[Dsim]HSO4} as a highly efficient, recyclable and green catalyst for the preparation of α,α´-bis(arylidene)cycloalkanones
Volume 4, Issue 1, pp. 1-132, Serial No. 10 , January 2016, Pages 94-101
Abstract
A highly efficient and simple method for the preparation of α,α´-bis(arylidene)cycloalkanones under solvent-free conditions has been developed. The crossed-aldol condensation of cycloalkanones (1 eq.) with arylaldehydes (2 eq.) in the presence of 2.5 mol% of ionic liquid 1,3-disulfonic ... Read More![1,3-Disulfonic acid imidazolium hydrogen sulfate {[Dsim]HSO4} as a highly efficient, recyclable and green catalyst for the preparation of α,α´-bis(arylidene)cycloalkanones](javascript:loadModal('1,3-Disulfonic acid imidazolium hydrogen sulfate { ... ', 'data/icc/coversheet/541442224385.png'))
Preparation of Organo Nanoclay Incorporated Polyamide/ Melamine Cyanurate/Nanoclay Composites and Study on Thermal and Mechanical Behaviours
Volume 4, Issue 1, pp. 1-132, Serial No. 10 , January 2016, Pages 102-114
Abstract
This study focuses on achieving high stiffness/strength and good FR characteristic of nylon 66/MCA/NC nanocomposites, prepared via melt compounding by twin screw extruder. A synergistic effect of flame retardant systems based on melamine cyanurate and zinc borate on the flammability and mechanical behaviours ... Read More)
Computational determination of character table and symmetry of fullerenes cage as C24 and C28
Volume 4, Issue 1, pp. 1-132, Serial No. 10 , January 2016, Pages 115-122
Abstract
Fullerene chemistry is nowadays a well-established field of both theoretical and experimental investigations. This study considers the symmetry of small fullerenes cage C24 and C28. Using PM3 program for C24 and C28 fullerenes, Oh and Td symmetry were confirmed, respectively. ... Read More)
DFT calculations on quetiapine hemifumarate as a pharmaceutical compound for the treatment of schizophrenia
Volume 4, Issue 1, pp. 1-132, Serial No. 10 , January 2016, Pages 123-132
Abstract
In this work, the optimization calculations were carried out on quetiapine hemifumarat, 4, and its analogues, 1-5. These calculations were carried out using the B3LYP/6-31G(d) level of theory. The DFT calculations clarified a boat structure for dibenzothiazepine moiety of the molecule which piperazine ... Read More)