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91.
To provide theoretical insight into the structures and properties of Sc3N@C80, which has been isolated in high yield and purity as a new stable endohedral metallofullerene, density functional calculations are carried out for the Sc3?nLanN@C80 (n=0–3) series. Because of electron transfer from Sc3N to C80, the electronic structure of Sc3N@C80 is formally described as (Sc3N)6+C$_{80}^{6-}$. The encapsulated Sc3N cluster takes a planar structure with long Sc–Sc distances and is highly stabilized inside the Ih cage of C80, which rotates rapidly. As the number of La atoms increases, the Sc3?nLanN cluster is forced to maintain a pyramidal structure in Sc3?nLanN@C80. In addition, the C80 cage takes an open‐shell electronic structure due to an increase in the number of electrons transferring from Sc3?nLanN. These make the endohedral structure less stable and more reactive. © 2001 John Wiley & Sons, Inc. J Comput Chem 22: 1353–1358, 2001 相似文献
92.
Tatsuo SuzukiMasaharu Inui Seijiro HosokawaSusumu Kobayashi 《Tetrahedron letters》2003,44(18):3713-3716
Ketene N,O-acetals were prepared stereoselectively and submitted to a Lewis acid-mediated 1,3-rearrangement to afford C-alkylated products. The reactions proceeded in a stereoselective manner to construct a chiral quaternary carbon in high selectivity. The stereochemistry of the quaternary center was found to be opposite to that obtained by an anionic direct dienolate alkylation. 相似文献
93.
Beker H Boggild H Boissevain J Cherney M Dodd J Esumi S Fabjan CW Fields DE Franz A Hansen KH Holzer EB Humanic TJ Jacak BV Jayanti R Kalechofsky H Kobayashi T Kvatadze R Lee YY Leltchouk M Lörstad B Maeda N Medvedev A Miake Y Miyabayashi A Murray M Nagamiya S Nishimura S Noteboom E Pandey SU Piuz F Polychronakos V Potekhin M Poulard G Sakaguchi A Sarabura M Shigaki K Simon-Gillo J Sondheim W Sugitate T Sullivan JP Sumi Y van Hecke H Willis WJ Wolf K Xu N 《Physical review letters》1995,74(17):3340-3343
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Tadashi Kon Tetsuro Kobayashi Shoichi Kitamura Keiichiro Nakamura Shunji Adachi 《Zeitschrift fur Physik C Particles and Fields》1994,61(2):239-246
In the framework of the minimal supersymmetric standard model (MSSM) and theR-parity breaking model (RBM), we investigate production processes of the scalar top (stop) at HERA energies. These models are characterized by the possible existence of the light stop whose mass is lighter than those of the top quark and the other squarks. It is shown that in the MSSM the stop pair production via boson-gluon fusion gives a sizeable cross section and the most serious background $ep \to ec\bar cX$ could be suppressed by appropriate kinematical cuts. We also show that in the RBM the stop is singly produced in the neutral current processes and we have a clear signal as a sharp peak in the Bjorken parameterx distribution of the scattered electron. 相似文献
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