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51.
The relations between the Hellmann-Feynman forces in laboratory fixed (L-) and relative (R-) coordinate systems are clarified. In the usualL-coordinate system, the force is interpreted as force on nucleus, while in theR-coordinate system, it means force on whole particles consisting of the electrons and nuclei of each interacting subsystem. From a perturbation theoretical viewpoint, the concept of the force on whole particles correctly corresponds to the perturbation energy and is superior to the force on the nucleus. 相似文献
52.
(?)-Terrecyclic acid A () was synthesized from (+)-fenchone (). The absolute configuration of terrecyclic acid A and quadrone was established. 相似文献
53.
54.
Yatsuhisa Nagano Yuhji Achiba Kenji Sato Katsumi Kimura 《Chemical physics letters》1982,93(5):510-514
Kenetic energies and angular distributions of photoelectrons emitted by three-photon ionization fo atomic iron through two-photon resonant state e7DJ and e5 DJ, were measured, by using visible lasers. J-resolved photoelectron bands attributab to the a6DJ and a4Fj ionic states are reported. 相似文献
55.
Toshikatsu Koga 《International journal of quantum chemistry》1984,25(2):347-354
The recently proposed method of using momentum densities for interatomic interactions is applied to the long-range force between the ground-state hydrogen atom and the proton, and the results are compared with those from using the position density based on the electrostatic Hellmann–Feynaman theorem. A new physical interpretation of the long-range force is obtained, which is complementary to that in position space. It is found that some perturbative changes in the position density do not accompany changes in the momentum density. 相似文献
56.
Isao Watanabe Kusuo Nishiyama Kanetada Nagamine Kenji Kawano Ken-ichi Kumagai 《Hyperfine Interactions》1994,86(1):603-608
Zero field positive muon spin rotation method (
+SR) is applied on La2–x
Sr
x
CuO4 around forx=0.12 at which the high-T
c
superconductivity (SC) is suppressed. The magnetically ordered state of Cu-moments, which is not a spin glass state but an antiferromagnetic like state, appears below 15 K for 0.105x0.120. The magnetic phase boundary is very similar to the one of the La2–x
Ba
x
CuO4 in which the structural transition from the low temperature orthorhombic (LTO) phase to the low temperature tetragonal (LTT) phase is observed aroundx=0.12. The present study suggests that there is no big difference of the electronic state of the CuO2 plane between the La-Ba system and the La-Sr system and that the magnetic ordering of Cu-moments plays an important role for the suppression of the high-T
c
SC aroundx=0.12 in both of the systems, although the LTO-LTT structural transition has not been observed yet in the La-Sr system. 相似文献
57.
F. Kokai Y. Koga Y. Kakudate M. Kawaguchi S. Fujiwara M. Kubota K. Fukuda 《Applied Physics A: Materials Science & Processing》1994,59(3):299-304
Laser-ionization Time-Of-Flight (TOF) mass-spectrometric studies have been carried out on the 532 nm and 1064 nm laser ablation products from a nitrogen-rich polymer. The polymer used had an elemental composition of C6.0N8.9H3.4 and consisted of C=N, C-N, and N-H chemical bonds. The TOF mass spectra observed were composed of various peaks (150 amu) depending on the ablation laser wavelength. The primary peaks were assigned to C+, CN+, CHnN+
2 (n=1–3) and C2H2N+
3 for 532 nm ablation, and C+, C+
3, HCN+, HCCN+, CH2NH+, HNCN+, H3NCN+, and C4H4N+
7 for 1064 nm ablation. The flight velocity distributions with peak velocities ranging from 8.6×103 cm/s to 3.8×104 cm/s were measured for these products. The distinct velocity distributions observed between small and large products indicate the presence of two origins in the fragment ejection process from the polymer for both 532 nm and 1064 nm ablation. Furthermore, we suggest an importance of the translational energy of the fragments for the product generation in the laser plume. 相似文献
58.
59.
Kenji Kojima Kusuo Nishiyama Kanetada Nagamine Hironobu Ikeda 《Hyperfine Interactions》1993,78(1-4):429-433
The site diluted finite spin cluster system Rb2CO
x
Mg1–x
F4 (x=0.15, 0.4, 0.5) has been investigated by the +SR technique. Muon spin relaxation was observed in these diluted magnetic systems in a weak longitudinal field of 100 G. By reducing temperature below 100 K, the experimental data show features of slowing down phenomena of the Co electron moments in the finite spin clusters. 相似文献
60.
A novel approach to the mimicking of enzyme-catalyzed bond-forming reactions has been examined using multifunctionalized chiral crown ethers. In addition to the 18-crown-6 moiety as a binding site, the host have one thiol and one thio ester with an N-protected alpha-amino acid or a peptide, and have successfully achieved peptide synthesis in an enzyme-mimetic reaction mode. This new method involves the following three key reactions. (1) Intra-complex thiolysis: the host carries out the rapid intra-complex thiolysis of alpha-amino acid ester salts to form the dithioester, corresponding to the assembly of two guests by the host. (2) Amide formation: intramolecular aminolysis occurs between the bound guests to form the amide bond. (3) Peptide chain elongation: as the thiol reactive group is regenerated, the above two reactions are repeated to elongate the peptide chain. Formal turnover of the enzyme model has been demonstrated by the synthesis of a tetrapeptide derivative by the repetition of the above processes. 相似文献