|
Linear free energy relationship for the anomeric effect: MP2, DFT and ab initio study of 2-substituted-1, 4-dioxanes |
October |
2011 |
|
MP2, DFT and ab initio calculations on thioxanthone |
April |
2011 |
|
Synthesis of mono and bis-4-methylpiperidiniummethyl-urea as corrosion inhibitors for steel in acidic media |
July |
2011 |
|
Studies on tautomerism in the triazoline dione |
April |
2011 |
|
Theoretical studies on tautomerism of tetrazole 5-thion |
May |
2011 |
|
Zeolite and sulfated zirconia as catalysts for the synthesis of 5-substituted 1H-tetrazoles via [2+ 3] cycloaddition of nitriles and sodium azide |
May |
2011 |
|
Theoretical Studies of Hydrogen Bond Interactions in 4-Substituted Benzoic Acids Dimers |
March |
2011 |
|
Synthesis, characterization, crystal structure, and theoretical studies on Schiff-base compound 6-[(5-Bromopyridin-2-yl) iminomethyl] phenol |
November |
2010 |
|
Clay‐catalyzed synthesis of 5‐substituent 1‐H‐tetrazoles |
Fall |
2010 |
|
Ab initio and DFT studies of hydrogen bond interactions in difluoroacetic acid dimer |
March |
2010 |
|
Theoretical studies on tautomerism of triazole derivatives in the gas phase and solution |
August |
2010 |
|
Theoretical studies of hydrogen bond interactions in fluoroacetic acid dimer |
July |
2010 |
|
Synthesis, characterization, and DFT studies of a novel azo dye derived from racemic or optically active binaphthol |
July |
2009 |
|
Rapid and efficient diazotization and diazo coupling reactions on silica sulfuric acid under solvent-free conditions |
March |
2009 |
|
Experimental and CIS, TD-DFT, ab initio calculations of visible spectra and the vibrational frequencies of sulfonyl azide-azoic dyes |
July |
2009 |
|
Spectroscopic, quantum chemical DFT/HF study and synthesis of [2.2. 1] hept-2′-en-2′-amino-< i> N</i>-azatricyclo [3.2. 1.0< sup> 2, 4</sup>] octane |
October |
2009 |
|
Vibrational spectra and assignments using ab initio and density functional theory analysis on the structure of biotin |
May |
2009 |
|
Synthesis, spectroscopic characterization and DFT calculations on [4-(sulfonylazide) phenyl]-1-azide |
July |
2008 |
|
Density functional theory study of intermolecular interactions of cyclic tetrazole dimers |
May |
2008 |
|
Asymmetric syntheses with BINOL-based imidoyl azide |
May |
2008 |
