Organic chemistry
An efficient green synthesis of highly substituted imidazoles catalyzed by Al-MCM-41 nanoreactors

Abolfazl Olyaei; Zohreh Derikvand; Fatemeh Noruzian; Mahdieh Sadeghpour

Volume 4, Issue 3, pp. 236-358, Serial No. 12 , July 2016, , Pages 337-346

Abstract
  Al-MCM-41 nanoreactors is found to be a remarkable efficient catalyst for one-pot multicomponent cyclocondensation of benzil, aniline or ammonium acetate and aromatic aldehydes for the synthesis of polysubstituted imidazoles under solvent-free conditions. The reaction was efficiently promoted by 10 mg ...  Read More

An efficient green synthesis of highly substituted imidazoles catalyzed by Al-MCM-41 nanoreactors


Physical chemistry
pKa predictions of some aniline derivatives by ab initio calculations

Reza Behjatmanesh; Negin Safaeian

Volume 2, Issue 2, pp. 82-163, Serial No. 3 , April 2014, , Pages 147-156

Abstract
  : In this work, different levels of theory containing HF, B3LYP, and MP2 with different basis sets such as 6-31G, 6-31G*, 6-311G, 6-311+G, 6-31+G*, 6-31+G are used to predict relative acidity constants of some aniline derivatives. Three different kinds of radii containing UAHF, Bondi, and Pauling are ...  Read More

pKa predictions of some aniline derivatives by ab initio calculations