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91.
Moses Salci Evgeny Yarevsky Sergey B. Levin Nils Elander 《International journal of quantum chemistry》2007,107(2):464-468
A three‐dimensional finite element method is applied to the ground states of the symmetric and asymmetric atomic helium trimers 4He3 and 4He2–3He. Three different He–He interaction potentials of hard‐core nature were studied. Two extrapolation procedures based on the convergence properties of the finite element method are investigated. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007 相似文献
92.
Isotope shifts have been measured in Sm II from which the shifts between pure configurations 4f 6 s and 4f 65d can be determined. The specific mass shift for such a “transition” was estimated to be (?1±2)mK for a change of two neutrons. The values derived for the change in the nuclear charge distribution,δ〈r 2〉, are in good agreement with the results obtained from isotope shift measurements in Sm I (H. Brand et al.: J. Phys. B11, L99, 1978). The weighted mean values representing the best information onδ〈r 2〉 presently available are in fm2: [144, 148] 0.488(23); [148, 150] 0.285(14); [150, 152] 0.400(19); [152, 154] 0.217(11). 相似文献
93.
Jolanta Klocek Krzysztof Kolanek Dieter Schmeißer 《Journal of Physics and Chemistry of Solids》2012,73(5):699-706
Fullerene based materials may open a new horizon in many fields of science. In this study we fabricated thin films of the hybrid materials formed as a result of interactions between C60 fullerenes and 3-aminopropyltrimethoxysilane (APTMS). The deposition technique was a combination of spin-coating and evaporation methods. Interactions within the films were investigated by means of X-ray photoelectron spectroscopy and near edge X-ray absorption fine structure spectroscopy (NEXAFS). Surface morphology was measured by atomic force microscopy (AFM). We found that there are strong chemical reactions between the nucleophilic nitrogen atoms from APTMS and electrophilic fullerene molecules. Results of NEXAFS investigations suggest that due to direct interactions between APTMS and C60 the electronic structure of the fullerene molecules changes while at the same time AFM proved that the C60 molecule diameter is not altered. 相似文献
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Markus Follmann Nils Griebenow Michael G. Hahn Ingo Hartung Franz‐Josef Mais Joachim Mittendorf Martina Schfer Hartmut Schirok Johannes‐Peter Stasch Friederike Stoll Alexander Straub Peter Jeschke Ralf Nauen Michael Edmund Beck Hans‐Wilhelm Engels Hans‐Georg Pirkl Reinhard Albers Rolf W. Albach Jens Krause Andreas Hoffmann Holger Casselmann Jeff Dormish 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2013,125(36):9503-9503
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Dr. Qingquan Lu Steffen Greßies Felix J. R. Klauck Prof. Dr. Frank Glorius 《Angewandte Chemie (International ed. in English)》2017,56(23):6660-6664
A MnI-catalyzed regioselective C−H allenylation is reported that allows a broad range of 2-allenylindoles to be synthesized regioselectively on a gram scale under simple conditions. Notably, a highly efficient chirality transfer was observed (up to 93 % ee) in this transformation. This procedure was further found to allow, for the first time, the direct preparation of ketones by MnI-catalyzed C−H activation. Mechanistic investigations revealed that the precoordination of the oxygen atom to the manganese center as well as the congested tertiary carbon atom in the propargylic carbonates play a crucial role. 相似文献