Alexander V. Larin

Publication Activity (10 Years)

Years Active: 2007-2011
Publications (10 Years): 0

Publications

Alexander V. Larin
Point atomic multipole moments for simulation of electrostatic potential and field in all-siliceous zeolites. J. Comput. Chem. 32 (11) (2011)
Alexander V. Larin, G. M. Zhidomirov, D. N. Trubnikov, Daniel P. Vercauteren
= 1-4, as active sites of selective oxidation over MOR and FAU zeolites. J. Comput. Chem. 31 (2) (2010)
Alexander V. Larin, D. N. Trubnikov, Daniel P. Vercauteren
Electric field convergence versus atomic basis sets in all-siliceous zeolites. J. Comput. Chem. 29 (1) (2008)
Alexander V. Larin, I. K. Sakodynskaya, D. N. Trubnikov
Convergence of electric field and electric field gradient versus atomic basis sets in all-siliceous and Mg substituted phillipsites. J. Comput. Chem. 29 (14) (2008)
Alexander V. Larin, W. J. Mortier, Daniel P. Vercauteren
Quick scheme for evaluation of atomic charges in arbitrary aluminophosphate sieves on the basis of electron densities calculated with DFT methods. J. Comput. Chem. 28 (10) (2007)