Zobrazeno 1 - 10 of 87 pro vyhledávání: '"P.V Schastnev"'
1
Potential energy surface of C6F6− radical anion
Autor: I.V. Beregovaya, P.V. Schastnev, L.N. Shchegoleva
Publikováno v: Chemical Physics Letters. 312:325-332
A successive symmetry reduction of the C 6 F 6 − radical anion along the active Jahn–Teller and pseudo-Jahn–Teller modes has been considered with ab initio calculations. Stationary points of the potential energy surface have been located and th
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::6635a71e155b26e74cb6a48b73f7379b
https://doi.org/10.1016/s0009-2614(99)00944-6
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2
Photoinitiated electron transfer interaction of all-trans retinal with electron donors and acceptors
Autor: V.S. Bashurova, N.E. Polyakov, T.V. Leshina, P.V. Schastnev
Publikováno v: Journal of Photochemistry and Photobiology A: Chemistry. 107:55-62
Formation of radical ions of all-trans retinal (ATR) has been demonstrated using 1 H CIDNP on its photoinitiated interaction with electron donor (stilbene) and acceptors (2,5-dichlorobenzoquinone, chloranil). CIDNP data show qualitative agreement wit
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::b2953edb29bb176ae1b3e89f9fd40074
https://doi.org/10.1016/s1010-6030(96)04560-1
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3
Proton exchange in stable nitroxyl radicals of the imidazoline and imidazolidine series
Autor: L.M Weiner, S.I Eremenko, Igor A. Grigor'ev, Valery V. Khramtsov, P.V Schastnev, O.I Belchenko, V.A Reznikov
Publikováno v: Journal of Magnetic Resonance (1969). 61:397-408
The influence of pH on the ESR spectra of six nitroxyl radicals was studied. Hyperfine splitting constants, a N , and g factors differ in protonated (RH + ) and nonprotonated (R) forms of the radicals. Proton exchange rates between R and RH + are eit
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::7e7a398f8234be46cbd82ecc532b16f7
https://doi.org/10.1016/0022-2364(85)90180-5
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4
Quantum-chemical study of the coordination influence upon the acetylene acidity. Intermediate state of the reaction of acetylene oxidative dimerization
Autor: O.I. Belchenko, P.V. Schastnev
Publikováno v: Inorganica Chimica Acta. 37:187-190
The influence of π-coordination with copper upon the acidity of substituted acetylenes has been studied. The effect of the formal charges of the metal and ligands as well as that of the complex structure were considered. Linear and dimeric models of
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::86a25e3aa8e2c561f3d960b270182fe7
https://doi.org/10.1016/s0020-1693(00)95542-7
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5
Effects of spin-orbital interactions on 13 NMR chemical shifts in halogen-substituted methanes
Autor: P.V Schastnev, A. A. Cheremisin
Publikováno v: Journal of Magnetic Resonance (1969). 40:459-468
A method for calculating the contributions to the chemical shifts made by spin-orbital interactions has been developed with use made of the third-order perturbation theory and the gradient-invariant AO basis. According to our calculations, these are
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a7d2516d2398d0b01fb830037fdcec4e
https://doi.org/10.1016/0022-2364(80)90003-7
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6
Non-equivalence of groups in radical ions of symmetric molecules. I. Non-empirical study of model σ-radical
Autor: P.V. Schastnev, L.N. Shchegoleva
Publikováno v: Chemical Physics. 130:115-121
Non-equivalence of fragments in radical ions of symmetric molecules is considered in terms of the pseudo-Jahn-Teller effect. Using [Li-H-H-Li] + as a model system, there have been carried out quantum-chemical studies of the generation of instability
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https://doi.org/10.1016/0301-0104(89)87040-5
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7
Electron structure and chemical properties of arene-cyclopentadienyliron derivatives
Autor: P.V. Schastnev, V.S. Bashurova, O.I. Belchenko
Publikováno v: Journal of Organometallic Chemistry. 187:375-379
The unrestricted Hartry-Fock method in the INDO approximation with modified parametrization is used to study the electron structure of the arene-cyclopentadienyliron cation [(C 6 H 6 )Fe(C 5 H 5 )] + and its derivatives (carbon acids and amines) and
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::f28f95589fddc1fb59b5ba1776758a19
https://doi.org/10.1016/s0022-328x(00)93430-2
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8
The spin density delocalization and the exchange interaction in N,N′-dioxy-2,6-diazoadamantane
Autor: R.N. Musin, P.V. Schastnev
Publikováno v: Chemical Physics Letters. 51:487-488
The contribution to the exchange integral, resulting from a direct overlap of the π-orbitals of > NO fragments and from the spin density delocalization to the adamantane core, has been calculated. The delocalization is of primary importance in the e
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::bd9e1d0250ca0e495203bf6101de8548
https://doi.org/10.1016/0009-2614(77)85407-9
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10
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