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1.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Shabanov V. F., Volkov V. E., Korshunov A. V.
Заглавие : Some peculiarities in combination scattering spectra of molecular complexes
Место публикации : J. Appl. Spectrosc. - 1970. - Vol. 13, Is. 3. - P.1241-1244. - ISSN 00219037 (ISSN), DOI 10.1007/s10812-018-0578-8
Примечания : Cited References: 8
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2.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : MALAKHOVSKII A. V., VASILIEV G. G.
Заглавие : COVALENCY EFFECT IN A D-D TRANSITION IN OCTAHEDROL COMPLEXES
Место публикации : Fiz. Tverd. Tela: MEZHDUNARODNAYA KNIGA, 1982. - Vol. 24, Is. 2. - P585-588. - ISSN 0367-3294
Примечания : Cited References: 12
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3.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Malakhovskii A. V., Vasilev G. G.
Заглавие : Covalency as source of intensity for d-d transitions in octahedral complexes
Место публикации : Phys. Status Solidi B. - 1983. - Vol. 118, Is. 1. - P.337-344. - ISSN 0370-1972, DOI 10.1002/pssb.2221180139
Примечания : Cited References: 24
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4.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : MALAKHOVSKII A. V., VASILJEV G. G.
Заглавие : THE ORIGIN OF ANOMALOUS TEMPERATURE DEPENDENCES OF INTENSITIES OF SPIN-FORBIDDEN D-D TRANSITIONS IN OCTAHEDRAL COMPLEXES
Место публикации : Solid State Commun.: PERGAMON-ELSEVIER SCIENCE LTD, 1983. - Vol. 48, Is. 4. - P353-356. - ISSN 0038-1098, DOI 10.1016/0038-1098(83)90739-1
Примечания : Cited References: 13
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5.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ioganson A.A., Antonova A.B., Trukhacheva V.A., Brumakina G.V., Rubailo A.I., Maksimov N.G., Kovalenko S.V., Deikhina N.A.
Заглавие : Chemistry of vinylidene complexes. 6. Electrochemical reduction and UV spectra of vinylidene derivatives of cymantrene and complexes with an Mn-Pt bond
Место публикации : Bulletin of the Academy of Sciences of the USSR. Division of Chemical Sciences. - Москва: Springer-Verlag GmbH, 1987. - Т. 36, № 1. - С. 46-50. - ISSN 1066-5285, DOI 10.1007/BF00953843. - ISSN 1573-9171(eissn)
ГРНТИ : 31
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6.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Antonova A.B., Johansson A.A., Deykhina N.A., Ginzburg A.G., Korniyets E.D., Kovalenko S.V., Pavlenko N.I., Petrovskii P.V., Rubaylo A.I., Sukhina I.A.
Заглавие : Chemistry of vinylidene complexes XI. Synthesis of trinuclear MnFePt complexes by means of consecutive assembling out of mono- and dimetal vinylidene precursors
Место публикации : Inorganica Chimica Acta. - 1995. - Т. 230, № 1-2. - P.97-104. - ISSN 0020-1693, DOI 10.1016/0020-1693(94)04306-G. - ISSN 1873-3255(eissn)
ГРНТИ : 31
РИНЦ
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7.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Antonova A.B., Johansson A.A., Deykhina N.A., Korniyets E.D., Pavlenko N.I., Burmakina G.V., Rubaylo A.I., Ginzburg A.G., Petrovskii P.V.
Заглавие : Chemistry of vinylidene complexes XII 1. Transmetalation of the μ-vinylidene ligand in the reaction of Cp(CO)2MnPt(?-C=CHPh)(dppp) with Fe2(CO)9. Formation of new PtFe, PtFe2 and PtFe3 complexes
Место публикации : Journal of Organometallic Chemistry. - 1996. - Т. 524, № 1-2. - P.81-85. - ISSN 0022-328X, DOI 10.1016/S0022-328X(96)06432-7
ГРНТИ : 31.17
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8.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Churilov G. N., Bayukov O. A., Petrakovskaya E. A., Korets A. Y., Isakova V. G., Titarenko Y. N.
Заглавие : Synthesis and study of iron-containing fullerene complexes
Место публикации : Tech. Phys.: AMER INST PHYSICS, 1997. - Vol. 42, Is. 9. - P1111-1113. - ISSN 1063-7842, DOI 10.1134/1.1258784
Примечания : Cited References: 9
Предметные рубрики: C-60
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9.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Antonova A.B., Johansson A.A., Deykhina N.A., Pogrebnyakov D.A., Pavlenko N.I., Rubaylo A.I., Dolgushin F.M., Petrovskii P.V., Ginzburg A.G.
Заглавие : Chemistry of vinylidene complexes. XIII. The reaction between Cp(CO)2MnPt(?-C=CHPh)(?2-dppm) and Fe2(CO)9: Simultaneous formation of the ?3-vinylidene MnFePt and ?4-vinylidene PtFe3 clusters. Crystal structure of (?5-C5H5)MnFePt(? 3-C=CHPh)(CO)6.
Место публикации : Journal of Organometallic Chemistry. - 1999. - Т. 577, № 2. - P.238-242. - ISSN 0022-328X
ГРНТИ : 31.17
РИНЦ
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ioganson A.A., Antonova A.B., Deikhina N.A., Pogrebnyakov D.A., Pavlenko N.I., Burmakina G.V., Rubailo A.I., Petrovskii P.V., Ginzburg A.G.
Заглавие : Chemistry of vinylidene complexes: XIV. Synthesis and NMR and IR study of heterometallic PdMn, PdFe2, and PdFe3 complexes with Ph2PCH2CH2PPh2 chelating ligand
Место публикации : Russian Journal of General Chemistry. - Санкт-Петербург: Pleiades Publishing, Ltd. (Плеадес Паблишинг, Лтд), 1999. - Т. 69, № 6. - С. 847-855. - ISSN 1070-3632. - ISSN 1608-3350(eissn)
ГРНТИ : 31.17
РИНЦ
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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Avramov P. V., Varganov S. A., Ovchinnikov S. G.
Заглавие : Atomic-core dynamics and the electronic structure of some endo- and exohedral complexes of fullerenes with light elements
Разночтения заглавия :us: Atomic-core dynamics and the electronic structure of some endo-and exohedral complexes of fullerenes with light elements
Место публикации : Phys. Solid State. - 2000. - Vol. 42, Is. 11. - P.2168-2175. - ISSN 1063-7834, DOI 10.1134/1.1324059
Примечания : Cited References: 39
Предметные рубрики: M-AT-C-60 ENDOHEDRAL COMPLEXES
MOLECULAR-DYNAMICS
PHASE-TRANSITION
AB-INITIO
SOLID C60
C-60
IONS
Аннотация: The atomic and electronic structure of some endo-, exo-, and endo-exohedral complexes of the fullerene C-60 with various guest atoms and molecules (He-n, H-2, and Li-2) are investigated using semiempirical and nonempirical quantum-chemical methods. The atomic core dynamics is studied by the method of molecular dynamics. It is shown that guest atoms and molecules in fullerene polyhedra acquire an orbital angular momentum due to the correlated motion of nuclei above the low-energy barriers of the potential surface within the carbon polyhedron even at low temperatures (from 4 to 78 K). The emergence of orbital angular momenta of nuclei of guest atoms and molecules is attributed to a change in the contribution of the orbital angular momentum of electrons to the potential surface of the complexes. The motion of Li ions in a polyhedron leads to blurring of the top of the valence band and to the emergence of a charge polarization wave in the carbon polyhedron. (C) 2000 MAIK "Nauka/Interperiodica".
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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Varganov S. A., Avramov P. V., Ovchinnikov S. G.
Заглавие : Ab initio calculations of endo- and exohedral C-60 fullerene complexes with Li+ ion and the endohedral C-60 fullerene complex with Li-2 dimer
Место публикации : Phys. Solid State: AMER INST PHYSICS, 2000. - Vol. 42, Is. 2. - P388-392. - ISSN 1063-7834, DOI 10.1134/1.1131218
Примечания : Cited References: 16
Предметные рубрики: ELECTRONIC-STRUCTURE
ENERGIES
C60
Аннотация: The results of ab initio Hartree-Fock calculations of endo- and exohedral C-60 fullerene complexes with the Li+ ion and Li-2 dimer are presented. The coordination of the Li+ ion and the Li-2 dimer in the endohedral complexes and the coordination of Li+ ion in the exohedral complex of C-60 fullerene are determined by the geometry optimization using the 3-21G basis set. In the endohedral Li+C60 complex, the Li+ ion is displaced from the center of the C-60 cage to the centers of carbon hexa- and pentagons by 0.12 nm. In the Li-2 dimer encapsulated inside the C-60 cage, the distance between the lithium atoms is 0.02 nm longer than that in the free molecule. The calculated total and partial one-electron densities of states of C-60 fullerene are in good agreement with the experimental photoelectron and X-ray emission spectra. Analysis of one-electron density of states of the endohedral Li+@C-60 complex indicates an ionic bonding between the Li atoms and the C-60 fullerene. In the Li+C60 and Li+@C-60 complexes, there is a strong electrostatic interaction between the Li+ ion and the fullerene. (C) 2000 MAIK "Nauka/Interperiodica".
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuzubov A. A., Avramov P. V., Ovchinnikov S. G., Varganov S. A., Tomilin F. N.
Заглавие : Theoretical study of the toroidal forms of carbon and related endohedral complexes with lithium
Место публикации : Phys. Solid State. - 2001. - Vol. 43, Is. 10. - P.1982-1988. - ISSN 1063-7834, DOI 10.1134/1.1410643
Примечания : Cited References: 11
Аннотация: The atomic and electron structures of toroidal carbon molecules (C-240 and two C-120 isomers) and related endohedral complexes with lithium (Li-2@C-n and Li-4@C-n) were theoretically studied using both nonempirical (3-21G basis set) and semiempirical (MNDO) calculation schemes. For the metal-containing compounds, the behavior of lithium atoms embedded into internal cavities of the carbon framework was studied using methods of molecular dynamics. It is demonstrated that the structure of electron levels of metal-containing carbon complexes exhibits an embedded state in the forbidden band, which appears due to the presence of electrons accepted from metal atoms. The position of this embedded state and the bandgap width depend both on the initial carbon structure and on the amount of metal atoms incorporated. (C) 2001 MAIK "Nauka/Interperiodica".
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuzubov A. A., Avramov P. V., Ovchinnikov S. G., Varganov S. A., Tomilin F. N.
Заглавие : Electronic and atomic structures of the isomers of endohedral and exohedral fullerene complexes with two lithium atoms
Место публикации : Phys. Solid State: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2001. - Vol. 43, Is. 9. - P1794-1799. - ISSN 1063-7834, DOI 10.1134/1.1402242
Примечания : Cited References: 21
Предметные рубрики: VIBRATION-ROTATION BANDS
INFRARED ROTATION
C-60
BUCKMINSTERFULLERENE
ION
Аннотация: The electronic structures of all the possible isomers of endohedral and exohedral C(60) fullerene complexes with two lithium atoms are theoretically investigated. It is found that the electronic structures of these compounds are characterized by an impurity filled-level state determining the band gap. The location of the impurity state and, correspondingly, the band gap of the exohedral fullerene complexes depend on the coordination mode and the distance between the alkali metal ions. A similar dependence is observed for the total energy of the exohedral fullerene complex under investigation. (C) 2001 MAIK "Nauka/ Interperiodica".
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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Petrakovskaya E. A., Bulina N. V., Churilov G. N., Puzyr' A. P.
Заглавие : A study of the synthesis products of fullerenes with nickel and cobalt
Место публикации : Tech. Phys.: AMER INST PHYSICS, 2001. - Vol. 46, Is. 1. - P42-46. - ISSN 1063-7842, DOI 10.1134/1.1340883
Примечания : Cited References: 15
Предметные рубрики: COMPLEXES
SPECTRA
Аннотация: Qualitative analysis of the products of plasmochemical synthesis of fullerenes with metallic nickel and cobalt has been carried out using electron paramagnetic resonance (EPR) and electron microscopy. These studies show that the synthesis products are mainly fullerenes, metallic nanoparticles coated with an insulating layer, and isolated atomic clusters. (C) 2001 MAIK "Nauka/Interperiodica".
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Lopatin V. N., Shepelevich N. V., Prostakova I. V.
Заглавие : Modelling optical properties of organic-mineral complexes in water ecosystems
Место публикации : J. Phys. D. - 2005. - Vol. 38, Is. 15. - P.2556-2563. - ISSN 0022-3727, DOI 10.1088/0022-3727/38/15/005
Примечания : Cited References: 22
Предметные рубрики: SCANNING FLOW-CYTOMETRY
LIGHT-SCATTERING
STRATIFIED SPHERE
PARTICLES
INDEX
Ключевые слова (''Своб.индексиров.''): approximation theory--ecosystems--inverse problems--light scattering--mathematical models--refractive index--suspensions (fluids)--water--generalization--integral light scattering indicatrix--organic-mineral complexes--spherical particles--complexation
Аннотация: Characteristics of organic-mineral complexes have been theoretically and experimentally studied in the paper, based on the method of integral light scattering indicatrix. Modelling of optical properties was realized using models of the coated spherical particles with a shell which is constant and changeable in the refractive index profile. General regularities have been revealed and generalized parameters for the method of integral light scattering indicatrix have been suggested.
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17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Petrakovskii G. A., Vorotynov A. M., Velikanov D. A., Shiyan Ya. G., Ovcharenko V. I., Ikorskii V. N., Romanenko G. V., Fursova E. Yu., Shimchak R.
Заглавие : Magnetic resonance in Cu(hfac)2LR heterospin chain polymer complexes
Место публикации : J. Struct. Chem. - 2006. - Vol. 47, Is. 3. - P.447-452. - ISSN 0022-4766, DOI 10.1007/s10947-006-0321-9
Примечания : Cited References: 4
Аннотация: Cu(hfac)2 chain polymer heterospin complexes with pyrazole-substituted nitronylnitroxides (LR, where R = Me, Et) with a composition Cu(hfac)2LR, exhibiting structural rearrangements with magnetic effects in the solid state at reduced temperatures, were studied by magnetic resonance. The magnetic resonance spectrum changes substantially for substituents of different types. The results of this study are discussed in the context of the cluster approach in view of the specific crystal structure of the compounds.
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Avramov P. V., Yakobson B. I., Scuseria G. E.
Заглавие : Mechanisms of inelastic scattering of low-energy protons by C6H6, C-60, C6F12, and C60F48 molecules
Разночтения заглавия :авие SCOPUS: Mechanisms of inelastic scattering of low-energy protons by C 6H6, C60, C6F12, and C60F48 molecules
Место публикации : Phys. Solid State: SPRINGER, 2006. - Vol. 48, Is. 1. - P177-184. - ISSN 1063-7834, DOI 10.1134/S106378340601032X
Примечания : Cited References: 23
Предметные рубрики: DYNAMICS SIMULATIONS
FULLERENES
COMPLEXES
BUCKMINSTERFULLERENE
HELIUM
ATOMS
Аннотация: The mechanisms of inelastic scattering of low-energy protons with a kinetic energy of 2-7 eV by C6H6, C6F12, C-60, and C60F48 molecules are studied using the methods of quantum chemistry and nonempirical molecular dynamics. It is shown that, for the C6H6 + proton and C-60 + proton systems, starting from a distance of 6 angstrom from the carbon skeleton, the electronic charge transfer from the aromatic molecule to H+ occurs with a probability close to unity and transforms the H+ ion into a hydrogen atom and the neutral C6H6 and C-60 molecules into cation radicals. The mechanism of interaction of low-energy protons with C6F12 and C60F48 molecules has a substantially different character and can be considered qualitatively as the interaction between a neutral molecule and a point charge. The Coulomb perturbation of the system arising from the interaction of the noncompensated proton charge with the Mulliken charges of fluorine atoms results in an inversion of the energies of the electronic states localized, on the one hand, on the positively charged hydrogen ion and, on the other hand, on the C6F12 and C60F48 molecules. As a result, the neutral molecule + proton state becomes the ground state. In turn, this inversion makes the electronic charge transfer energetically unfavorable. Quantum-chemical and molecular-dynamics calculations on different levels of theory showed that, for fluorine derivatives of some aromatic structures (C6F12, C60F48), the barriers to proton penetration through carbon hexagons are two to four times lower than for the corresponding parent systems (C6H6, C-60). This effect is explained by the absence of active pi-electrons in the case of fluorinated molecules.
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Di Valentin C., Neyman K. M., Risse T., Sterrer M., Fischbach E., Freund H. J., Nasluzov V. A., Pacchioni G., Rosch N.
Заглавие : Density-functional model cluster studies of EPR g tensors of F-s(+) centers on the surface of MgO
Разночтения заглавия :авие SCOPUS: Density-functional model cluster studies of EPR g tensors of F s + centers on the surface of MgO
Место публикации : J. Chem. Phys.: AMER INST PHYSICS, 2006. - Vol. 124, Is. 4. - Ст.44708. - ISSN 0021-9606, DOI 10.1063/1.2161190
Примечания : Cited References: 37
Предметные рубрики: ELECTRONIC G-TENSORS
CORRELATION-ENERGY
MGO(001) SURFACE
OXYGEN VACANCIES
SPIN-ORBIT
G-VALUES
ATOMS
APPROXIMATION
COMPLEXES
MOLECULES
Ключевые слова (''Своб.индексиров.''): density-functional model cluster--single-crystalline thin films--spin-orbit interaction--anisotropy--paramagnetic resonance--single crystals--tensors--thin films--magnesium compounds
Аннотация: We report g tensors of surface color centers, so-called F-s(+) centers, of MgO calculated with two density-functional approaches using accurately embedded cluster models. In line with recent UHV measurements on single-crystalline MgO film, we determined only small g-tensor anisotropies and negative shifts Delta g equivalent to g-g(e) for all F-s(+) sites considered, namely, (001)-terrace, step, edge, and corner sites. The g values are very sensitive to the local structure of the defect: relaxation reverses the sign of Delta g. However, accounting for the spin-orbit interaction either self-consistently or perturbatively yields very similar results. In addition to the values of the tensor components, their direction with respect to the surface was determined. In contrast to edges, significant deviations from ideal C-2v symmetry were found for F-s(+) centers at steps. Recent data on single-crystalline thin films are reevaluated in the light of these results. (c) 2006 American Institute of Physics.
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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Antonova A.B., Deykhina N.A., Pogrebnyakov D.A., Rubaylo A.I., Starikova Z.A.
Заглавие : Chemistry of vinylidene complexes. XVI. Crystal and molecular structure of the novel tetranuclear ?2-?3-bis-vinylidene complex (?2-dppe)PdMn(?3-C{double bond, long}CHPh)PdMn(?-C{double bond, long}CHPh)(CO)4Cp2
Место публикации : Journal of Organometallic Chemistry. - 2007. - Т. 692, № 8. - P.1641-1647. - ISSN 0022-328X, DOI 10.1016/j.jorganchem.2006.12.012
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