Alexander Larin

  • 321 Citations
  • 12 h-Index
19922017

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2017

The Role of Water in the Elastic Properties of Aluminosilicate Zeolites: DFT Investigation

Bryukhanov, I. A., Rybakov, A. A., Larin, A. V., Trubnikov, D. N. & Vercauteren, D. P., 1 Mar 2017, In : Journal of Molecular Modeling. 23, 3, 12 p., 68.

Research output: Contribution to journalArticle

2016
2013

Theoretical Identification of Carbonate Geometry in Zeolites from IR Spectra

Larin, A. V., Rybakov, A. A., Bryukhanov, I. A., Kovalev, V. L. & Vercauteren, D. P., 1 Jan 2013, In : Microporous and Mesoporous Materials. 173, p. 15-21 7 p.

Research output: Contribution to journalArticle

2011

DFT Investigation of CO Oxidation over Mg Exchanged Periodic Zeolite Models

Rybakov, A., Larin, A., ZHIDOMIROV, G., TRUBNIKOV, D. & Vercauteren, D., 1 Mar 2011, In : Computational and Theoretical Chemistry. 964, 1-3, p. 108-115 8 p.

Research output: Contribution to journalArticle

Oxide Clusters as Source of the Third Oxygen Atom for the Formation of Carbonates in Alkaline Earth Dehydrated Zeolites

Larin, A., Rybakov, A., Mace, A., Laaksonen, A. & Vercauteren, D. P., 2011, In : Journal of Catalysis. 281, p. 212-221 10 p.

Research output: Contribution to journalArticle

2010

Ion-Exchanged Binuclear Ca2Ox Clusters, X = 1 - 4, as Active Sites of Selective Oxidation Over Mor and Fau Zeolites

Larin, A., ZHIDOMIROV, G., TRUBNIKOV, D. & Vercauteren, D., 2010, In : J. Comput. Chem.. 31, p. 421-430 10 p.

Research output: Contribution to journalArticle

2009

Confinement in Molecular Sieves: The Pioneering Physical Concepts

Lucas, A., Derycke, I., Lambin, P., Vigneron, J-P., Leherte, L., Elanany, M., Andre, J-M., Larin, A. & Vercauteren, D., 15 Jun 2009, In : Journal of Molecular Catalysis A: Chemical. 305, 1-2, p. 16-23 8 p.

Research output: Contribution to journalArticle

DFT Analysis of Propane Cyclization over Binuclear Ga-Clusters in Mordenite

Larin, A., ZHIDOMIROV, G., TRUBNIKOV, D. & Vercauteren, D., 2009, In : J. Mol. Catal. A . 305, p. 90-94 5 p.

Research output: Contribution to journalArticle

Ion-Exchanged Binuclear Clusters as Active Sites of Selective Oxidation over Zeolites

ZHIDOMIROV, G., Larin, A., Trubnikov, D. & Vercauteren, D., 2009, In : J. Phys. Chem. C. 113, p. 8258-8265 8 p.

Research output: Contribution to journalArticle

2008

Electric Field Convergence Versus Atomic Basis Sets in All-Siliceous Zeolites

Larin, A., Trubnikov, D. & Vercauteren, D., 2008, In : J. Comput. Chem.. 29, p. 130-138 9 p.

Research output: Contribution to journalArticle

2007

Electrostatic Potential and Field Approximation for Aluminosilicates in Cation-Substituted Forms

Larin, A., Semenyuk, R., Trubnikov, D. & Vercauteren, D., 2007, In : Rus. J. Phys. Chem. Engl. Transl.. 81, p. 493-509 17 p.

Research output: Contribution to journalArticle

In Silico Molecular Similarity and Complementarity Based on the Electron Density

Becue, A., Burton, J., Dury, L., Hansenne, C., Larin, A., Latour, T., Leherte, L., Meurice, N., Petit, J. & Vercauteren, D., 2007, In : Chimie nouvelle. 94, p. 14-21 8 p.

Research output: Contribution to journalArticle

Theoretical and Experimental Analyses of the Synergism in the Dielectric Strength for C3F8/C2HF5 Mixtures

Larin, A., Meurice, N., Gentils, F., Fievet, C. & Vercauteren, D., 2007, In : Journal of Applied Physics. 101, 8, p. 306/1-306/14 15 p.

Research output: Contribution to journalArticle

2005

Approximation of the Electrostatic Potential in Aluminophosphates

Larin, A., Trubnikov, D. & Vercauteren, D., 2005, In : Rus. J. Phys. Chem. Engl. Transl.. 79, p. 986-992 7 p.

Research output: Contribution to journalArticle

Evaluation of Electric Field within Pores of Aluminophosphate Sieves

Larin, A., Hansenne, C., Trubnikov, D. & Vercauteren, D., 2005, In : Internat. J. Quantum Chem.. 105, p. 839-856 18 p.

Research output: Contribution to journalArticle

Theoretical Analysis of the Synergism in the Dielectric Strength for SF6/CF4 Mixtures

Larin, A., Meurice, N., Trubnikov, D. & Vercauteren, D., 2004, In : J. Appl. Phys.. 96, p. 109-117 9 p.

Research output: Contribution to journalArticle

2003

Influence of Hydrogen Bonding on the Properties of Water Molecules Adsorbed in Zeolite Frameworks

Larin, A., Trubnikov, D. & Vercauteren, D., 2003, In : Internat. J. Quantum Chem.. 92, p. 71-84 14 p.

Research output: Contribution to journalArticle

Interaction between Probe Molecules and Zeolites. Part II: Interpretation of the IR of CO and N2 Adsorbed in NaY and NaRbY

Larin, A., Vercauteren, D., Lamberti, C., Bordiga, S. & Zecchina, A., 2002, In : Phys. Chem. Chem. Phys.. 4, p. 2424-2433 10 p.

Research output: Contribution to journalArticle

2000

Linear dependence of the interaction energy on intramolecular distance for adsorbed or clustered diatomic molecules

Larin, A., Leherte, L., Vercauteren, D. P. & Trubnikov, D. N., 20 Sep 2000, In : Molecular physics. 98, 18, p. 1433-1439 7 p.

Research output: Contribution to journalArticle

1999
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1997