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11.
Some novel physical ideas and mathematical techniques are described, useful in the development of effective Hamiltonian methods for studying molecular environmental effects. 相似文献
12.
Keitaro Yoshihara Yutaka Nagasawa Arkadiy Yartsev Shigeichi Kumazaki Hideki Kandori Alan E. Johnson Keisuke Tominaga 《Journal of photochemistry and photobiology. A, Chemistry》1994,80(1-3):169-175
We have investigated the ultrafast intermolecular electron transfer (ET) from an electron-donating solvent (aniline (AN) or N, N-dimethylaniline (DMA)) to an excited dye molecule (oxazines (Nile blue and oxazine 1) or coumarins). A non-exponential time dependence was observed in AN and can be explained by solvent reorientation and nuclear motion of the reactants. However, in DMA, a single exponential process was observed for Nile blue (160 fs) and oxazine 1 (280 fs), which can be explained by assuming that the rate of ET is limited mainly by ultrafast nuclear motion. A clear substituent effect on intermolecular ET was observed for the 7-aminocoumarins. When the alkyl chain on the 7-amino group is extended and a hexagonal ring with the benzene moiety is formed, the rate of ET is reduced by three orders of magnitude. This effect can be explained by a change in the free energy difference of the reaction and by the vibrational motion of the amino group. 相似文献
13.
Hideki Nishimori Masahiro Tatsumisago Tsutomu Minami 《Journal of Sol-Gel Science and Technology》1997,9(1):25-31
Monodispersed silica particles up to ca. 1.2 μm in diameter were prepared by hydrolysis of tetraethoxysilane in the presence
of sodium dodecyl sulfate (SDS). The particle size was increased with an increase of SDS added. The geometrical standard deviation
of the particles was decreased with an increase of SDS. In the earlier reaction stage, double spherical particles by the coalescence
of the particles were frequently observed when large amounts of SDS were added. Particle size was gradually increased after
the coalescence occurred and spherical particles were finally obtained. The results of Nielsen’s chronomal analysis suggest
that the polynuclear layer growth took place after the coalescence of the particles in the presence of larger amount of SDS. 相似文献
14.
The first total synthesis of (+)?3-deoxyaphidicolin, a selective inhibitor of eukaryotic DNA polymerase α, has been completed efficiently and stereoselectively starting from 1-abietic acid. 相似文献
15.
1-Alkoxy-3-trimethylsilylmethyl- and 1-alkoxy-3-trimethylsilyl-l,3-butadienes () were newly prepared. The cycloaddition reactions of with various dienophiles including heterodienophiles were found to proceed very smoothly in a perfectly regiospecific mode. 相似文献
16.
T. Takahashi S. Uchida H. Hayashi S. Matsuoka K. Tomita N. Kurosawa 《Journal of Radioanalytical and Nuclear Chemistry》2007,272(3):451-454
For the assessment of a public impact caused by radionuclides released from nuclear facilities, a dynamic compartment model
was developed for prediction of behavior of radioiodine in air, paddy field and rice plant system. The transfer coefficients
among compartments were determined by some experimental data and assumptions for each chemical form of iodine. A verification
of the model was carried out by some case studies. 相似文献
17.
Nagaoka Y Inoue H el-Koussi N Tomioka K 《Chemical communications (Cambridge, England)》2002,(2):122-123
Upon treatment with lithium diisopropylamide achiral and chiral alpha,beta,psi,omega-unsaturated bisphosphine oxides underwent lithiation-conjugate addition tandem cyclization to afford the corresponding endo-alpha,beta-unsaturated cyclic bisphosphine oxides; sequential stereoselective reduction of the cyclized bisphosphine oxide gave the corresponding trans- and cis-bisphosphines that were successfully applicable in a catalytic asymmetric hydrogenation as chiral bisphosphine ligands. 相似文献
18.
Hiroshi Harada Kanichi Kamiya Hiroyuki Nasu Jun Matsuoka 《Journal of Sol-Gel Science and Technology》1997,10(3):291-300
The sodium dititanate, Na2O·2TiO2 glass was prepared by the sol-gel method. The structure of the glass, especially local environment of Ti4+ ions was examined using X-ray diffraction and X-ray absorption fine structure (XAFS) analyses, and was compared with that of the melt-derived glass with the same composition. It was found that Ti4+ ions are rather in five-fold coordination state, forming TiO5 pyramids with one doubly bonded Ti=O in the gel-glass, while they were in lower coordination state or four-fold coordination in the melt-derived glass. 相似文献
19.
20.
A quantum chemical study of interchain hopping model of negatively charged solitons in polyacetylene
Akitomo Tachibana Shigeru Ishikawa Yoshihiro Asai Hideki Katagiri Tokio Yamabe 《International journal of quantum chemistry》1992,41(3):461-474
Phonon-assisted interchain hopping of negatively charged solitons in polyacetylene has been studied using a local chemical reaction model CH + CH4 → CH4 + CH. Quantum chemical characteristics of the electron transfer process have been analyzed in terms of the dynamic electron density and the mutual polarization moment. The CH stretching vibrational motion of CH4, which is a local model of the sp3 defect, has been found to play a significant role for the electron transfer. The excitation of the corresponding vibrational mode of the sp3 defect would promote the interchain hopping of the charged soliton. The electron transfer process has also been studied in terms of the “regional” density functional theory. It has been shown that the driving force of the electron transfer is represented by the regional chemical potentials. 相似文献