Zobrazeno 1 - 10
of 27
pro vyhledávání: '"T. N. Gribanova"'
Autor:
Ruslan M. Minyaev, Andrey G. Starikov, T. N. Gribanova, Vladimir I. Minkin, Matthew R. Siebert, Dean J. Tantillo
Publikováno v:
Chemistry - A European Journal. 16:2272-2281
A series of sandwich compounds of transition metals (M=Ni, Fe, Cr) with cyclic hydrocarbon (M(CH)(n)) and borane (M(BH(2))(n)), ligands (including mixed hydrocarbon/borane sandwiches) has been studied using density functional theory (B3LYP/6-311+G(df
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8d4dc7007092d7979dd3773310952e48
https://doi.org/10.1002/chem.200902004
https://doi.org/10.1002/chem.200902004
Publikováno v:
Doklady Chemistry. 429:258-263
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1e37e96d7e61a65383cbe10a200c95c9
https://doi.org/10.1134/s0012500809110020
https://doi.org/10.1134/s0012500809110020
Publikováno v:
Doklady Chemistry. 424:1-6
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6f0b1eb4506780b4cf16f73cb6107345
https://doi.org/10.1134/s0012500809010017
https://doi.org/10.1134/s0012500809010017
Autor:
A. A. Milov, Ruslan M. Minyaev, T. N. Gribanova, Andrey G. Starikov, Olga A. Gapurenko, V. A. Gurashvili, Vladimir I. Minkin
Publikováno v:
Russian Chemical Bulletin. 57:2037-2044
The structures and stabilities of the van der Waals clusters (N2)n (n = 2–8) have been evaluated using ab initio calculations at the MP2(full)/6–311+G* and CCSD(full)/6–311+G* level of theory. At n = 2–4, the formation of planar and three-dim
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1095deb9e923e30886f91b2b762696d4
https://doi.org/10.1007/s11172-008-0277-3
https://doi.org/10.1007/s11172-008-0277-3
Publikováno v:
Russian Journal of Inorganic Chemistry. 53:1605-1613
The electronic and geometric structures of M4NO4+ compounds (M = Li, Na, K) in classical and nonclassical isomeric forms were studied by the ab initio (MP2(full)/6-311+G**) and density functional theory (B3LYP/6-311+G**) methods. For all M atoms, str
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::953202e37e76191f7746464f8f1ed21a
https://doi.org/10.1134/s0036023608100148
https://doi.org/10.1134/s0036023608100148
Publikováno v:
Doklady Chemistry. 422:255-259
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c5ea09b5e9584f848b09d3360d69c72b
https://doi.org/10.1134/s0012500808100042
https://doi.org/10.1134/s0012500808100042
Publikováno v:
Doklady Chemistry. 419:101-107
101 Due to extensive studies of molecular electronic devices, the search for new one-dimensional organic and organometallic compounds with semiconducting, conducting, or superconducting properties is becoming ever more important [1]. The focus of thi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d2fad3aaa98e98c532a13f31b9fdd551
https://doi.org/10.1134/s001250080804006x
https://doi.org/10.1134/s001250080804006x
Publikováno v:
Doklady Chemistry. 418:10-14
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2fa54efc32d02b78e88fe4d547cb88bf
https://doi.org/10.1134/s0012500808010047
https://doi.org/10.1134/s0012500808010047
Publikováno v:
Russian Journal of Organic Chemistry. 43:1144-1150
The study by DFT [B3LYP/6-311G(2df,p)] method of structural and energy characteristics peculiar to [n]-prismanes and [n]-asteranes demonstrated that prismanes of n = 3–10 and asteranes of n = 3–7 possessed a stable structure of Dnh-symmetry; the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::26a1acc943cefd27849968be369be03c
https://doi.org/10.1134/s107042800708009x
https://doi.org/10.1134/s107042800708009x
Publikováno v:
Russian Chemical Bulletin. 56:856-862
The energy characteristics and geometric parameters of the dodecahedrane endohedral complexes X@C20H20 (X = C4−, N3−, O2−, F−, Ne) were studied by the density functional theory B3LYP method with the 6-311G(d,p), 6-311+G(d,p), and 6-311G(df,p)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::21e21d50c9d277e746979f6fd42be00b
https://doi.org/10.1007/s11172-007-0129-6
https://doi.org/10.1007/s11172-007-0129-6