|
1
|
Filatov M.J.
,
Shalyaev K.V.
,
Talsi E.P.
Why do not 7-co-ordinated Diperoxo Molybdenum Complexes Oxidize alkenes? A Theoretical Analysis
Journal of Molecular Catalysis (Continued after 1994 as Journal of Molecular Catalysis A: Chemical and Journal of Molecular Catalysis B: Enzymatic). 1994.
V.87. N1. P.L5-L9. DOI: 10.1016/0304-5102(93)E0269-M
publication_identifier_short.wos_identifier_type
publication_identifier_short.scopus_identifier_type
publication_identifier_short.rinz_identifier_type
|
|
2
|
Filatov M.J.
,
Elizarova G.L.
,
Gerasimov O.V.
,
Zhidomirov G.M.
,
Parmon V.N.
Quantum-Chemical Study of the Four-Electron Catalytic Oxidation of Water to Dioxygen in the Presence of Dinuclear and Tetranuclear Hydroxide Complexes of Cobalt(III) and Iron(III): Intermediates of the Catalytic Cycle and Their Relative Energies
Journal of Molecular Catalysis (Continued after 1994 as Journal of Molecular Catalysis A: Chemical and Journal of Molecular Catalysis B: Enzymatic). 1994.
V.91. N1. P.71-82. DOI: 10.1016/0304-5102(94)00014-X
publication_identifier_short.wos_identifier_type
publication_identifier_short.scopus_identifier_type
publication_identifier_short.rinz_identifier_type
|
|
3
|
Filatov M.J.
,
Pelmenschikov A.G.
,
Zhidomirov G.M.
On the Nature of Superactive Centers in H-ZSM-5 Zeolites: Quantum Chemical Calculations
Journal of Molecular Catalysis (Continued after 1994 as Journal of Molecular Catalysis A: Chemical and Journal of Molecular Catalysis B: Enzymatic). 1993.
V.80. N2. P.243-251. DOI: 10.1016/0304-5102(93)85081-4
publication_identifier_short.wos_identifier_type
publication_identifier_short.scopus_identifier_type
publication_identifier_short.rinz_identifier_type
|
|
4
|
Filatov M.J.
,
Zilberberg I.L.
,
Zhidomirov G.M.
On the Use of a Model Function of Coulomb Hole Approximation for Evaluation of the Coulomb Integrals in Semiempirical SCF MO Methods
Computer Physics Communications. 1992.
V.73. N1-3. P.192-196. DOI: 10.1016/0010-4655(92)90039-2
publication_identifier_short.wos_identifier_type
publication_identifier_short.scopus_identifier_type
publication_identifier_short.rinz_identifier_type
|
|
5
|
Zilberberg I.L.
,
Filatov M.J.
,
Zhidomirov G.M.
Coulomb Hybrid Two-Electron Integrals for Transition Metal Atoms: Comparison of Theoretical Integrals with those Evaluated from Spectroscopic Data
Computer Physics Communications. 1992.
V.73. N1-3. P.205-208. DOI: 10.1016/0010-4655(92)90041-V
publication_identifier_short.wos_identifier_type
publication_identifier_short.scopus_identifier_type
publication_identifier_short.rinz_identifier_type
|
|
6
|
Zilberberg I.L.
,
Filatov M.J.
,
Zhidomirov G.M.
The Evaluation of the Hybrid One-Center Integrals Used in the Semiempirical NDDO-Type Methods for d-Elements from Spectra
International Journal of Quantum Chemistry. 1992.
V.42. N3. P.439-444. DOI: 10.1002/qua.560420306
publication_identifier_short.wos_identifier_type
publication_identifier_short.scopus_identifier_type
publication_identifier_short.rinz_identifier_type
|
|
7
|
Filatov M.J.
,
Zilberberg I.L.
,
Zhidomirov G.M.
NDDO/MC: A New Semiempirical SCF MO Method for Transition Metal Complexes
International Journal of Quantum Chemistry. 1992.
V.44. N4. P.565-585. DOI: 10.1002/qua.560440414
publication_identifier_short.wos_identifier_type
publication_identifier_short.scopus_identifier_type
publication_identifier_short.rinz_identifier_type
|
|
8
|
Filatov M.J.
,
Talsi E.P.
,
Gritsenko O.V.
,
Zhidomirov G.M.
,
Zamaraev K.I.
Palladium Superoxido Complexes. In What Way (σ or π) is O2- co-ordinated? A Quantum Chemical Approach
Journal of the Chemical Society, Dalton Transactions 1972-2003 (Dalton Transactions 2003-Present). 1990.
N11. P.3265-3269. DOI: 10.1039/DT9900003265
publication_identifier_short.wos_identifier_type
publication_identifier_short.scopus_identifier_type
publication_identifier_short.rinz_identifier_type
|
|
9
|
Filatov M.J.
,
Gritsenko O.V.
,
Zhidomirov G.M.
CNDO-S2: A New Semiempirical SCF MO Method for Transition Metal Organometallics
Journal of Molecular Catalysis (Continued after 1994 as Journal of Molecular Catalysis A: Chemical and Journal of Molecular Catalysis B: Enzymatic). 1989.
V.54. N3. P.462-477. DOI: 10.1016/0304-5102(89)80161-0
publication_identifier_short.wos_identifier_type
publication_identifier_short.scopus_identifier_type
publication_identifier_short.rinz_identifier_type
|
|
10
|
Filatov M.Y.
,
Griczenko O.V.
,
Zhidomirov G.M.
New Semiempirical SCF-MO Method for Calculating Organometallic Compounds
Journal of Structural Chemistry. 1988.
V.29. N3. P.349-356. DOI: 10.1007/BF00743988
publication_identifier_short.wos_identifier_type
publication_identifier_short.scopus_identifier_type
publication_identifier_short.rinz_identifier_type
|
|
11
|
Filatov M.J.
,
Gritsenko O.V.
,
Zhidomirov G.M.
CNDO-S2 - a Semiempirical SCF MO Method for Transition Metal Organometallics
Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta). 1987.
V.72. N3. P.211-222. DOI: 10.1007/BF00527664
publication_identifier_short.wos_identifier_type
publication_identifier_short.scopus_identifier_type
publication_identifier_short.rinz_identifier_type
|