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Дата изменения: Fri Jun 16 14:06:03 2006 Дата индексирования: Mon Oct 1 20:49:28 2012 Кодировка: |
Leila Yu. Ustynyuk
Dmitri V. Besedin
1. Ustynyuk L.Yu., Ustynyuk Yu.A., Laikov D.N., Lunin V.V. Activation of CH4 and H2 molecules by cationic zirconium(IV) complexes: a DFT study. Rus. Chem. Bull., Int. Ed., 1999, 48(12), 2222-2228.
2. Ustynyuk L.Yu., Ustynyuk Yu.A., Laikov D.N., Lunin V.V. Activation of CH4 and H2 by zirconium (IV) and titanium (IV) cationic complexes. Theoretical DFT study. Abstr. 2-nd V.A.Fock Conf. Quantum and Computational Chemistry. Novgorod the Great, 2000, pp.35-36.
3. Ustynyuk Yu.A., Ustynyuk L.Yu., Laikov D.N., Lunin V.V. Activation of CH4 and H2 by zirconium (IV) and titanium (IV) cationic complexes. Theoretical DFT study. J.Organomet. Chem., 2000, 597, 182-189.
4. Nifant’ev I.E., Ustynyuk L.Yu., Laikov D.N. DFT study of [Cp’2ZrCH3]+[CH3B(C6F5)3]- ion pair formation. In Abstr. Organomet.Catal. & Olefin Polymerization New Millenium Intern.Conf. Oslo, Norway, 2000, P1-9.
5. Nifant’ev I.E., Ustynyuk L.Yu., Laikov D.N. DFT study of ethylene polymerization by zirconocene-boron catalytic system. Abstr. Organomet.Catal. & Olefin Polymerization New Millenium Intern.Conf. Oslo, Norway, 2000, P5-13.
6. Nifant'ev I.E., Ustynyuk L.Yu., Laikov D.N. A DFT study of ethylene polymerization by zirconocene catalysts. 1. Model system [Cp2ZrEt]+ + C2H4. Rus. Chem. Bull., Int. Ed., 2000, 49(7), 1164-1173.
7. Nifant'ev I.E., Ustynyuk L.Yu., Laikov D.N. Density functional study of ethylene polymerization on zirconocene catalysts. 2. Substituted zirconocene catalysts. Rus. Chem. Bull., Int. Ed., 2000, 49(10), 1735-1741.
8. Ustynyuk L.Yu., Ustynyuk Yu.A., Laikov D.N., Lunin V.V. Activation of C-H bonds in C1-C3 alkanes by titanium(IV) and zirconium(IV) cationic complexes: a DFT study. Rus. Chem. Bull., Int. Ed., 2001, 50(3), 376-380.
9. Nifant'ev I.E., Ustynyuk L.Yu., Laikov D.N. DFT study of ethylene polymerization by zirconocene-boron catalytic system. In Organometallic Cataysts. and Olefin Polymerization, Blom, R.; Follestad, A.; Rytter E., Tilset M., Ystenes M., Eds.; Springer Verlag, Berlin, 2001, 72-85.
10. Nifant'ev I.E., Ustynyuk L.Yu., Laikov D.N. DFT study of ethylene polymerization by zirconocene-boron catalytic system. Organometallics, 2001, 20(25), 5375-5393.
11. Ustynyuk L.Yu., Ustynyuk Yu.A., Laikov D.N., Lunin V.V. DFT study of the mechanism of alkane hydrogenolysis by transition metal hydrides. 1. Interaction of silica-supported zirconium hydrides with methane. Rus. Chem. Bull., Int. Ed., 2001, 50(11), 2050-2053.
12. Nifant'ev I.E., Ustynyuk L.Yu. A Density Functional Study of the Structure and Energy Parameters of (MenCp)2ZrMe+A- Ion Pairs [n=0,2,5; Cp=n5-C5H5-n; and A- = MeB(C6F5)3-]. Rus. J. Phys. Chem., 2002, 76(8), 1311-1315.
13. Besedin D.V., Ustynyuk L.Yu., Ustynyuk Yu.A., Lunin V.V. Theoretical study of catalytic ethylene polymerization on silica-supported zirconium hydrides. In Abstr. Highly-organized catalytic systems. 1st Intern.Conf. Chernogolovka, Russia, 2002, 58.
14. Besedin D.V., Ustynyuk L.Yu., Ustynyuk Yu.A., Lunin V.V. A theoretical DFT study of the mechanism of C-C bond hydrogenolysis in alkanes on silica-supported zirconium hydrides. Mend.Commun., 2002, 12(5), 173-175.
15. Ustynyuk L.Yu., Besedin D.V., Lunin V.V., Ustynyuk Yu.A. Catalytic Polymerization of Ethylene on Zirconium Hydride Centers Stabilized on the Surface of SiO2. Rus. J. Phys. Chem., 2003, 77(5), 733-738.
16. Ustynyuk L.Yu., Besedin D.V., Lunin V.V., Ustynyuk Yu.A. The Hydrogenolysis of Alkane C-C Bonds on Zirconium Hydride Centers Stabilized on the Surface of SiO2: A Density Functional Theory Study. Rus. J. Phys. Chem., 2003, 77(7), 1139-1144.
17. Fushman E.A., Ustynyuk L.Yu., Margolin A.D., Lalayan S.S. A Theoretical Investigation of Geometric and Energetic parameters of Adducts Formed in the Cp2TiMeCl/(AlMeCl2 + H2O) Catalytic System. Rus. J. Phys. Chem., 2003, accepted for publication.