ÈÑÒÈÍÀ

Vercauteren D.P.

Ñîàâòîðû: Ëàðèí À.Â., Òðóáíèêîâ Ä.Í., Leherte L., Æèäîìèðîâ Ã.Ì., Ðûáàêîâ À.À., Souhassou M., Áðþõàíîâ È.À., Êîâàëåâ Â.Ë., Aubert E., Becue A., Burton J., Derycke I., Dury L. ïîêàçàòü ïîëíîñòüþ..., Elanany M., Hansenne C., J-M A., J-P V., Lambin P., Latour T., Lucas A.A., Meurice N., Petit J., Porcher F., Rajzmann M.

16 ñòàòåé, 8 äîêëàäîâ íà êîíôåðåíöèÿõ, 4 òåçèñîâ äîêëàäîâ

Êîëè÷åñòâî öèòèðîâàíèé ñòàòåé â æóðíàëàõ ïî äàííûì Web of Science: 106, Scopus: 89

IstinaResearcherID (IRID): 398404

Äåÿòåëüíîñòü ñòèëü:  îáû÷íûé | ÃÎÑÒ | plain | abbrv | acm | alpha | amsalpha | amsplain | apalike | ieeetr | siam

• Ñòàòüè â æóðíàëàõ

  • 
    • 2013 Theoretical identification of carbonate geometry in zeolites from IR spectra
    • Larin A.V., Bryukhanov I.A., Rybakov A.A., Kovalev V.L., Vercauteren D.P.
    • â æóðíàëå Microporous and Mesoporous Materials, èçäàòåëüñòâî Elsevier BV (Netherlands), òîì 173, ñ. 15-21 DOI
  • 
    • 2010 Ion-exchanged binuclear Ca2OX clusters, X = 1 - 4, as active sites of selective oxidation over MOR and FAU zeolites
    • Larin A.V., Zhidomirov G.M., Trubnikov D.N., Vercauteren D.P.
    • â æóðíàëå Journal of Computational Chemistry, èçäàòåëüñòâî John Wiley & Sons Inc. (United States), òîì 32, ñ. 421-430 DOI
  • 
    • 2010 Ion-exchanged binuclear Ca2OX clusters, as active sites of selective oxidation over MOR and FAU zeolites
    • Larin A.V., Zhidomirov G.M., Trubnikov D.N., Vercauteren D.P.
    • â æóðíàëå Journal of Computational Chemistry, èçäàòåëüñòâî John Wiley & Sons Inc. (United States), òîì 31, ? 2, ñ. 421-430 DOI
  • 
    • 2009 Confinement in molecular sieves: the pioneering physical concepts
    • Lucas A.A., Derycke I., Lambin Ph, J-P Vigneron, Leherte L., Elanany M., J-M Andr?, Larin A.V., Vercauteren D.P.
    • â æóðíàëå J. Mol. Cat. A, òîì 305, ? 1-2, ñ. 16-23 DOI
  • 
    • 2009 Ion-exchanged binuclear clusters as active sites of selective oxidation over zeolites
    • Zhidomirov G.M., Larin A.V., Trubnikov D.N., Vercauteren D.P.
    • â æóðíàëå Journal of Physical Chemistry C, èçäàòåëüñòâî American Chemical Society (United States), òîì 113, ? 19, ñ. 8258-8265 DOI
  • • 2007 In Silico Molecular Similarity and Complementarity Based on the Electron Density
    • Becue A., Burton J., Dury L., Hansenne C., Larin A., Latour Th, Leherte L., Meurice N., Petit J., Vercauteren D.
    • â æóðíàëå Chimie Nouvelle, òîì 94, ñ. 14-21
  • 
    • 2001 Approximation of the Mulliken atomic charges and dipole moments for the oxygens of aluminophosphate sieves
    • Larin A.V., Vercauteren D.P.
    • â æóðíàëå J. Mol. Cat. A, òîì 166, ? 1, ñ. 73-85 DOI
  • 
    • 2001 Low order atomic multipole moments for the oxygens of ?small size? H-form aluminosilicate frameworks
    • Larin A.V., Vercauteren D.P.
    • â æóðíàëå J. Mol. Cat. A, òîì 168, ? 1, ñ. 123-138 DOI
  • 
    • 1998 Approximation of the Mulliken charges for the oxygen and silicon atoms of zeolite frameworks with a periodic HF scheme
    • Larin A.V., Vercauteren D.P.
    • â æóðíàëå International Journal of Quantum Chemistry, èçäàòåëüñòâî John Wiley & Sons Inc. (United States), òîì 70, ? 4-5, ñ. 993-1001 DOI
  • 
    • 1998 Approximation of the Mulliken type charges for the oxygen atoms of all-siliceous zeolites
    • Larin A.V., Leherte L., Vercauteren D.P.
    • â æóðíàëå Chemical Physics Letters, èçäàòåëüñòâî Elsevier BV (Netherlands), òîì 287, ? 1-2, ñ. 169-177 DOI
  • 
    • 1997 Theoretical estimation of the vibrational perturbations of the molecular properties of H2 adsorbed within the zeolite A framework
    • Larin A.V., Jousse F., Leherte L., Vercauteren D.P.
    • â æóðíàëå Chemical Physics Letters, èçäàòåëüñòâî Elsevier BV (Netherlands), òîì 274, ? 4, ñ. 345-353 DOI

• Ñòàòüè â ñáîðíèêàõ

  • 
    • 2006 On the role of organic amine templates in the synthesis of AlPO molecular sieves: An experimental and computational study
    • Elanany M., Larin A.V., B-L Su, Vercauteren D.P.
    • â ñáîðíèêå Scientific Bases for the Preparation of Heterogeneous Catalysts, ñåðèÿ Studies in Surface Science and Catalysis, èçäàòåëüñòâî ELSEVIER SCIENCE BV (PO BOX 211, AMSTERDAM, NETHERLANDS, 1000 AE), òîì 162, ñ. 339-346 DOI
  • 
    • 2004 Similarities between atomic properties in dense and open aluminophosphate sieves
    • Larin A.V., Porcher F., Aubert E., Souhassou M., Vercauteren D.P.
    • â ñáîðíèêå Recent Advances in the Science and Technology of Zeolites and Related Materials, ñåðèÿ Studies in Surface Science and Catalysis, èçäàòåëüñòâî ELSEVIER SCIENCE BV (PO BOX 211, AMSTERDAM, NETHERLANDS, 1000 AE), òîì 154, ñ. 1230-1237 DOI
  • 
    • 2002 Comparison of Small Alumino- and Borosilicates with Periodic Hartree-Fock
    • Larin A.V., Vercauteren D.P.
    • â ñáîðíèêå Impact of Zeolites and other Porous Materials on the new Technologies at the Beginning of the New Millennium, ñåðèÿ Studies in Surface Science and Catalysis, ìåñòî èçäàíèÿ Elsevier B.V PO BOX 211, AMSTERDAM, NETHERLANDS, 1000 AE, òîì 142, ñ. 1987-1994 DOI
  • 
    • 2001 Cumulative coordinates for approximation of atomic multipole moments within cationic forms of aluminosilicates
    • Larin A.V., Vercauteren D.P.
    • â ñáîðíèêå Zeolites and Mesoporous Materials at the dawn of the 21st century, ñåðèÿ Surf. Stud. Sci. Cat, èçäàòåëüñòâî ELSEVIER SCIENCE BV (PO BOX 211, AMSTERDAM, NETHERLANDS, 1000 AE), òîì 135, ñ. 263 DOI
  • 
    • 2001 Theoretical analysis of hydrolysis of sulfur fluorides SFn (n=3-6) in the gas phase
    • Larin A.V., Meurice N., Leherte L., Rajzmann M., Vercauteren D.P., Trubnikov D.N.
    • â ñáîðíèêå Gaseous Dielectrics, ìåñòî èçäàíèÿ Kluwer Academic/Plenum Publishers New York, òîì 9, ñ. 425-430

• Äîêëàäû íà êîíôåðåíöèÿõ

  • • 2015 Structural interface defects in the course of modeling of Si(110) passivation by atomic layer deposition of Al2O3 (Ñòåíäîâûé)
    • Àâòîðû: Rybakov A.A., Larin A.V., Vercauteren D.P., Zhidomirov G.M.
    • Congress of Theoretical Chemists of Latin Expression, Òóðèí, Èòàëèÿ, 26-31 èþëÿ 2015
  • • 2013 Methanol carbonylation and oxidative carbonylation over alkaline earth and transition metal zeolites (Ñòåíäîâûé)
    • Àâòîðû: Rybakov A.A., Larin A.V., Zhidomirov G.M., Vercauteren D.P.
    • 17th Internatioal Zeolite Conference, Moscow, Russia, Ðîññèÿ, 2013
  • • 2013 The role of electron kinetic energy for the Al-O-Al instability regarding the Loewenstein rule in aluminosilicate zeolites (Ñòåíäîâûé)
    • Àâòîðû: Larin A.V., Vercauteren D.P.
    • 17th Internatioal Zeolite Conference, Moscow, Russia, Ðîññèÿ, 2013
  • • 2006 The method of cumulative coordinate for approximation of electrostatic potential and electrostatic field in all-siliceous and cation substituted aluminosilicate zeolites (Óñòíûé)
    • Àâòîðû: Larin A.V., Hansenne C., Trubnikov D.N., Vercauteren D.P.
    • 10th Russ. Conf. Quant. Chem., Kazan', Russia, Ðîññèÿ, 2006
  • • 2005 Evaluation of electrostatic field in aluminophosphate sieves (Óñòíûé)
    • Àâòîðû: Larin A.V., Trubnikov D.N., Vercauteren D.P.
    • 9th Russ. Conf. Quant. Chem., Novgorod, Russia, Ðîññèÿ, 2005
  • • 2004 Cumulative coordinate technique for evaluation of electrostatic potential in aluminophosphates (Óñòíûé)
    • Àâòîðû: Larin A.V., Vercauteren D.P.
    • 8th Russ. Conf. Quant. Chem., Novgorod, Russia, Ðîññèÿ, 2004
  • • 2001 Optimization of the geometry of H-form borosilicates with periodic Hartree-Fock scheme (Óñòíûé)
    • Àâòîðû: Larin A.V., Vercauteren D.P.
    • Annual Meeting DZA/WFO on Zeolitic Materials, Antwerp, Belgium , Áåëüãèÿ, 2001
  • • 1997 Self-consistent assignment of the band shift values of diatomic molecules adsorbed within zeolite frameworks of the A type (Óñòíûé)
    • Àâòîðû: Leherte L., Larin A.V., Vercauteren D.P.
    • Proceed. Conf. of Belgium Physical Society and NSF, Limburg, Belgium, Áåëüãèÿ, 1997

• Òåçèñû äîêëàäîâ

  • • 2015 DFT modeling of Si(110) passivation by atomic layer deposition of Al2O3
    • Rybakov A.A., Larin A.V., Vercauteren D.P., Zhidomirov G.M.
    • â ñáîðíèêå Book of Abstracts of Congress of Theoretical Chemists of Latin Expression, ñåðèÿ Ñåññèÿ 2, ïîñòåð 44, ìåñòî èçäàíèÿ Torino, òåçèñû
  • • 2013 The role of electron kinetic energy for the Al-O-Al instability regarding the Loewenstein rule in aluminosilicate zeolites
    • Larin A.V., Vercauteren D.P.
    • â ñáîðíèêå Proc. of 17th Internat. Zeol. Conf, ìåñòî èçäàíèÿ Moscow, Russia, òîì 3, òåçèñû, ñ. 77-78
  • • 2010 Redox activity modeling of alkaline earth exchanged zeolites
    • Ðûáàêîâ À.À., Ëàðèí À.Â., Æèäîìèðîâ Ã.Ì., Vercauteren D.P.
    • â ñáîðíèêå Abstracts of 16 th Internat. Zeol. Conf. joint with the 7th Internat. Mesostr. Mater. Symp. IZC-IMMS, ìåñòî èçäàíèÿ A. De Frede Napoli, Italy, òåçèñû, ñ.  172- 172
  • • 2006 Local and non local atomic multipole moments in ionic solids
    • Larin A.V., Vercauteren D.P., Trubnikov D.N.
    • â ñáîðíèêå Tes. 6th European Conf. Comp. Chem. EUCO-CC6, ìåñòî èçäàíèÿ Tales, Slovakia, òåçèñû, ñ. 36