全文获取类型
收费全文 | 110篇 |
免费 | 4篇 |
国内免费 | 1篇 |
专业分类
化学 | 68篇 |
晶体学 | 1篇 |
数学 | 15篇 |
物理学 | 31篇 |
出版年
2022年 | 3篇 |
2021年 | 5篇 |
2018年 | 2篇 |
2017年 | 4篇 |
2015年 | 2篇 |
2014年 | 1篇 |
2013年 | 4篇 |
2012年 | 6篇 |
2011年 | 3篇 |
2010年 | 4篇 |
2009年 | 5篇 |
2008年 | 6篇 |
2007年 | 6篇 |
2006年 | 4篇 |
2005年 | 2篇 |
2004年 | 4篇 |
2003年 | 3篇 |
2002年 | 5篇 |
2001年 | 4篇 |
2000年 | 5篇 |
1999年 | 2篇 |
1998年 | 3篇 |
1997年 | 2篇 |
1996年 | 1篇 |
1995年 | 3篇 |
1994年 | 2篇 |
1993年 | 4篇 |
1992年 | 4篇 |
1990年 | 1篇 |
1989年 | 1篇 |
1987年 | 1篇 |
1983年 | 1篇 |
1982年 | 1篇 |
1981年 | 2篇 |
1980年 | 4篇 |
1979年 | 1篇 |
1978年 | 1篇 |
1976年 | 3篇 |
排序方式: 共有115条查询结果,搜索用时 15 毫秒
1.
Krzysztof Pomorski José M. Blanco Pavel V. Kostryukov Artur Dobrowolski Bo?ena Nerlo-Pomorska Micha? Warda Zhi-Gang Xiao Yong-Jing Chen Li-Le Liu Jun-Long Tian Xin-Yue Diao Qiang-Hua Wu 《中国物理C(英文版)》2021,45(5):054109-054109-11
Fission properties of the actinide nuclei are deduced from theoretical analysis. We investigate potential energy surfaces and fission barriers and predict the fission fragment mass yields of actinide isotopes. The results are compared with experimental data where available. The calculations were performed in the macroscopic-microscopic approximation with the Lublin-Strasbourg Drop (LSD) for the macroscopic part, and the microscopic energy corrections were evaluated in the Yukawa-folded potential. The Fourier nuclear shape parametrization is used to describe the nuclear shape, including the non-axial degree of freedom. The fission fragment mass yields of the nuclei considered are evaluated within a 3D collective model using the Born-Oppenheimer approximation. 相似文献
2.
Manfred Dobrowolski 《Numerische Mathematik》1980,36(3):225-236
Summary This paper deals with a mixed finite element method for approximating a fourth order initial value problem arising from the nonstationary Stokes problem. For piecewise linear shape functions error estimates are given with convergence rates similar to the elliptic case. Some numerical computations will illustrate the theoretical results. 相似文献
3.
Studies on diisopropylnaphthalene substitutional isomerism 总被引:2,自引:0,他引:2
Robert Brzozowski Jan Cz. Dobrowolski Micha
H. Jamrz Wincenty Skupi
ski 《Journal of molecular catalysis. A, Chemical》2001,170(1-2):95-99
The concentrations of diisopropylnaphtalene (DIPN) isomers in experimental equilibrium mixtures obtained on amorphous aluminosilicate and HY zeolite have been measured by GC method. The total energy and Gibbs free energy of the isomers were calculated by DFT method at the B3PW91/3-21G level. Comparison of the populations based on the DFT energies with the experimental concentrations of DIPN isomers are in good agreement. This fact can suggest that isomerization is mainly determined by thermodynamic equilibrium. 相似文献
4.
The problem of optimal control of nonlinear control and state constrained control problems, where the state constraint may involve differential operators and the cost functionals may be nonsmooth, is studied. For this class of problems, necessary optimality conditions using techniques from infinite dimensional optimization theory adapted to the framework of control problems are derived. It is shown that the underlying structure admits a considerable relaxation of the classical constraint qualifications. The theory then is applied to examples of various nonlinear elliptic equations and state constraints. 相似文献
5.
In the paper comparison of accuracy of two methods used for investigations of hydrodynamic in continuous flow tanks has been made. Basis for the comparison is the experimental work performed for big industrial wastewater concentration equalization tank. The first method is based on the radiotracer experiment while the second one uses the analysis of response on sudden change of the technological parameters. The radiotracer method has better accuracy connected with the shorter sampling period. Ks wird die Genauigkeit zweier Methoden zur Untersuchting der Hydrodynamik von kontinuierlich arbeitenden Flüssigkeitsbehältern verglichen. Grundlage dafür sind experimentelle Untersuchungen an groβen Industrieabwasser-Ausgleichsbehältern. Die erste Methode bedient sich der Radiotracertechnik, während die zweite Methode auf einer plötzlichen Veränderung der technologischcn Parameter beruht. Es zeigt sich, daβ die Radiotracermethoden die besseren Ergebnisse liefert, wobei auβerdem noch kürzere Probenaltmeperioden von Vorteil sind. 相似文献
6.
Ewa Machalska Grzegorz Zajac Malgorzata Baranska Dorota Kaczorek Robert Kawcki Piotr F. J. Lipiski Joanna E. Rode Jan Cz. Dobrowolski 《Chemical science》2021,12(3):911
Raman optical activity (ROA) spectra recorded for a chiral naphthalene diimide derivative (nBu-NDI–BINAM) dissolved in a series of solvents exhibit strong solute to solvent induced chirality with: (1) dominating bands of solvents, (2) nBu-NDI–BINAM resonance ROA (RROA) bands which are barely visible, (3) monosignate RROA Solvent spectra with an unexpected sign concordant with that of the ECD band of the resonant electronic state, (4) bisignate RROA bands for a few solvents, and (5) superposition of non-resonant and resonant ROA bands of the chiral solvents. The unusual ROA enhancement was explained in terms of resonance energy transfer with resonant Raman emission. The surprising RROA sign-switching was found to be due to specific conformational equilibria where one solute conformer dominates in the ground and the other in the first excited singlet state, and, the signs of the related ECD bands of these two conformers are opposite.Unusual solute to solvent induced chirality in ROA comes from specific conformer equilibria in the ground and the excited states. 相似文献
7.
MacLean PD Chapman EE Dobrowolski SL Thompson A Barclay LR 《The Journal of organic chemistry》2008,73(17):6623-6635
The absolute rate constants, k(inh), and stoichiometric factors, n, of pyrroles, 2-methyl-3-ethylcarboxy-4,5-di-p-methoxyphenylpyrrole, 6, 2,3,4,5-tetraphenylpyrrole, 7, and 2,3,4,5-tetra-p-methoxyphenylpyrrole, 8, compared to the phenolic antioxidant, di-tert-butylhydroxyanisole, DBHA, during inhibited oxidation of cumene initiated by AIBN at 30 degrees C gave the relative antioxidant activities (k(inh)) DBHA > 8 > 7 > 6 and n = 2, whereas in styrene, 8 > DBHA. These results are explained by hydrogen atom transfer, HAT, from the N-H of pyrroles to ROO(*) radicals. The k(inh) values in styrene of dimethyl esters of the bile pigments of bilirubin ester (BRDE), of biliverdin ester (BVDE), and of a model compound (dipyrrinone, 1) gave k(inh) in the order pentamethylhydroxychroman (PMHC) > BRDE > 1 > BVDE. These antioxidant activities for BVDE and the model compound, 1, and PMHC dropped dramatically in the presence of methanol due to hydrogen bonding at the pyrrolic N-H group. In contrast the k(inh) of BRDE increased in methanol. We now show that pyrrolic compounds may react by HAT, proton-coupled electron transfer, PCET, or single electron transfer, SET, depending on their structure, the nature of the solvent, and the attacking radical. Compounds BVDE and 1 react by the HAT or PCET pathway (HAT/PCET) in styrene/chlorobenzene with ROO(*) and with the DPPH(*) radical in chlorobenzene according to N-H/N-D kH/kD of 1.6, whereas the DKIE with BRDE was only 1.2 with ROO(*). The antioxidant properties of polypyrroles of the BVDE class and model compounds (e.g., 1) are controlled by intramolecular H bonding which stabilizes an intermediate pyrrolic radical in HAT/PCET. According to kinetic polar solvent effects on the monopyrrole, 8, and BRDE, which gave increased rates in methanol, some pyrrolic structures are also susceptible to SET reactions. This conclusion is supported by some calculated ionization potentials. The antioxidant mechanism for BRDE with peroxyl radicals is described by the PCET reaction. Experiments using the 2,6-di-tert-butyl-4-(4'-methoxyphenyl)phenoxyl radical (DBMP(*)) showed this to be a better radical to monitor HAT activities in stopped-flow kinetics compared to the use of the more popular DPPH(*) radical. 相似文献
8.
M. Baranska J. Cz. Dobrowolski A. Kaczor K. Chruszcz‐Lipska K. Gorz A. Rygula 《Journal of Raman spectroscopy : JRS》2012,43(8):1065-1073
The tobacco alkaloids: nicotine, nornicotine, cotinine, anabasine, their protonated forms, and salts were analyzed by means of Raman spectroscopy supported by the density functional theory/B3LYP/aug‐cc‐pVDZ calculations. The analyses were performed based on Raman marker bands of neutral, monoprotonated, and diprotonated forms of tobacco alkaloids because in different surroundings various forms have been suggested to either dominate or to coexist. The form and distribution of nicotine directly in a plant and in phytopharmaceutical products were investigated by in situ Raman mapping. For the first time, the Raman optical activity spectrum of (−)‐nicotine in aqueous solution was measured and interpreted by means of the density functional theory calculations. The study provides a clear evidence that Raman spectroscopy techniques are powerful in efficient quality control and forensic and bioanalytical analyses of tobacco alkaloids. Copyright © 2012 John Wiley & Sons, Ltd. 相似文献
9.
10.