|
Removing Cd2+ from water and wastewater by blowy sand; the effects of total hardness and pH |
Spring |
2013 |
|
Barrierless Inter and Intramolecular Proton Transfer; A DFT Study of Tautomerism in Microsolvated and Protonated Systems |
Spring |
2013 |
|
DFT and MP2 Study of Low barrier Proton Transfer in Hydrazide Schiff Base Tautomers via Water Bridges and in the gas |
August |
2013 |
|
Synthesis, structural and theoretical studies of Pd (II) complexes containing an orthometallated C, C-chelating phosphorus ylide |
Fall |
2013 |
|
DFT Study of Kinetic and Thermodynamic Parameters of Tautomerism in 4-acyl Pyrazolone |
Summer |
2013 |
|
Photocatalytic reduction of CO< sub> 2</sub> to CO by a dinuclear carbonyl polypyridyl rhenium (I) complex |
August |
2014 |
|
Synthesis, FT-IR, NMR and DFT analysis of a new salophen based on diaminophenazine moiety |
April |
2014 |
|
DFT, AIM, and NBO study of the interaction of simple and sulfur-doped graphenes with molecular halogens, CH3OH, CH3SH, H2O, and H2S |
September |
2014 |
|
A DFT, AIM and NBO study of adsorption and chemical sensing of iodine by S-doped fullerenes |
May |
2014 |
|
DFT, AIM, and NBO study of the interaction of simple and sulfur-doped graphenes with molecular halogens, CH3OH, CH3SH, H2O, and H2S |
September |
2014 |
|
Syntheses, studies and crystal structure of new coordination polymers of mercury (II) with phenylcyanamide derivative ligands |
June |
2014 |
|
Structural and theoretical studies of mono and di-insertion of symmetric alkynes into the Pd–C σ bond of cyclopalladated secondary ( tert-butyl and ethyl) benzylamines |
January |
2014 |
|
A theoretical study of stabilities, reactivities and bonding properties of XKrOH (X= F, Cl, Br and I) as potential new krypton compounds using coupled cluster, MP2 and DFT calculations |
November |
2014 |
|
Study of binding energies using DFT methods, vibrational frequencies and solvent effects in the interaction of silver ions with uracil tautomers |
Spring |
2014 |
|
Selective gas sorption and electrochemical properties of a dicyanamide coordination polymer: Insight from experimental and theoretical study |
February |
2014 |
|
Synthesis, spectral characterization and theoretical investigation of some new mercury four coordinated complexes |
July |
2014 |
