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101.
Kaneda M Asaoka S Ikeda H Mori T Wada T Inoue Y 《Chemical communications (Cambridge, England)》2002,(12):1272-1273
A hydrostatic pressure of up to 750 MPa induced discontinuous changes in the enantiomeric excess of the (E)-isomer obtained in the enantio-differentiating photoisomerization of (Z)-cyclooctene and (Z,Z)-cycloocta-1,5-diene, sensitized by chiral benzene-1,2,4,5-tetracarboxylates; indicating a switching of the enantio-differentiation mechanism, which is attributable to dramatic conformational changes of chiral alkoxycarbonyl auxiliaries at a specific pressure. 相似文献
102.
Yasuda K 《Physical review letters》2002,88(5):053001
A local approximation formula of the correlation energy functional E(c) in terms of the first-order reduced density matrix (1-RDM) is presented. With the contracted Schr?dinger equation the principal dependence of E(c) on the natural occupation numbers n(i) is identified. Using the effective mass theory, E(c) is expressed as a functional of the local density and the local variable, J = SUM (i)[square root of (n(i)(1-n(i))] /phi(i)/(2), where phi(i) are the natural spin orbitals. This local approximation satisfies the homogeneous coordinate scaling relation, gives the exact result for a one-electron system, and is almost free from the exchange energy error. It reproduced about 90% of the correlation energies of atoms and molecules. 相似文献
103.
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107.
Yasuda C Todo S Hukushima K Alet F Keller M Troyer M Takayama H 《Physical review letters》2005,94(21):217201
The Néel temperature T(N) of quasi-one- and quasi-two-dimensional antiferromagnetic Heisenberg models on a cubic lattice is calculated by Monte Carlo simulations as a function of interchain (interlayer) to intrachain (intralayer) coupling J(')/J down to J(')/J approximately = 10(-3). We find that T(N) obeys a modified random-phase approximationlike relation for small J(')/J with an effective universal renormalized coordination number, independent of the size of the spin. Empirical formulas describing T(N) for a wide range of J(') and useful for the analysis of experimental measurements are presented. 相似文献
108.
Yogi M Kitaoka Y Hashimoto S Yasuda T Settai R Matsuda TD Haga Y Onuki Y Rogl P Bauer E 《Physical review letters》2004,93(2):027003
We report on novel antiferromagnetic (AFM) and superconducting (SC) properties of noncentrosymmetric CePt3Si through measurements of the 195Pt nuclear spin-lattice relaxation rate 1/T(1). In the normal state, the temperature (T) dependence of 1/T(1) unraveled the existence of low-lying levels in crystal-electric-field multiplets and the formation of a heavy-fermion (HF) state. The coexistence of AFM and SC phases that emerge at T(N)=2.2 K and T(c)=0.75 K, respectively, takes place on a microscopic level. CePt3Si is the first HF superconductor that reveals a peak in 1/T(1) just below T(c) and, additionally, does not follow the T3 law that used to be reported for most unconventional HF superconductors. We remark that this unexpected SC characteristic may be related to the lack of an inversion center in its crystal structure. 相似文献
109.
(--)-Muricatacin, a potent cytotoxic (4R,5R)-5-hydroxyheptadecan-4-olide, has been synthesized through alpha-C--H hydroxyalkylation and alpha'-C--H oxidation of tetrahydrofuran. This study presents a novel method for C--H bond functionalization as a means for preparing gamma-(hydroxyalkyl)-gamma-butyrolactones. 相似文献
110.
A. Tanaka R. Saito T. Kamikake M. Imamura H. Yasuda 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2007,43(1-3):229-232
We have performed the optical and photoelectron
spectroscopic studies of alkyl-passivated Si nanoparticles synthesized by a
solution route. The alkyl-passivated Si nanoparticle with mean diameter less
than about 2 nm exhibits a strong ultraviolet-blue photoluminescence.
Furthermore, we have directly investigated their electronic structures in
the vicinity of Fermi level by means of valence-band photoemission
measurements using synchrotron radiation. From these results, the detailed
optical properties and electronic structures of alkyl-passivated Si
nanoparticles are discussed. 相似文献