Quick scheme for evaluation of atomic charges in arbitrary aluminophosphate sieves on the basis of electron densities calculated with DFT methods. - Alexander V. Larin; W. J. Mortier; Daniel P. Vercauteren (J. Comput. Chem., 2007)

Convergence of electric field and electric field gradient versus atomic basis sets in all-siliceous and Mg substituted phillipsites. - Alexander V. Larin; I. K. Sakodynskaya; D. N. Trubnikov (J. Comput. Chem., 2008)

Electric field convergence versus atomic basis sets in all-siliceous zeolites. - Alexander V. Larin; D. N. Trubnikov; Daniel P. Vercauteren (J. Comput. Chem., 2008)

Ion-exchanged binuclear Ca2OX clusters, X = 1-4, as active sites of selective oxidation over MOR and FAU zeolites. - Alexander V. Larin; G. M. Zhidomirov; D. N. Trubnikov; Daniel P. Vercauteren (J. Comput. Chem., 2010)

Point atomic multipole moments for simulation of electrostatic potential and field in all-siliceous zeolites. - Alexander V. Larin (J. Comput. Chem., 2011)