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排序方式: 共有77条查询结果,搜索用时 31 毫秒
1.
Armakan Selin Civan Mihriban Yurdakul Sema 《Journal of Thermal Analysis and Calorimetry》2022,147(22):12855-12869
Journal of Thermal Analysis and Calorimetry - In this study, the combustion characteristics and kinetics of various mixtures of both raw and torrefied rose pulp and red pine sawdust with each other... 相似文献
2.
Ş. Erkoç 《Zeitschrift für Physik D Atoms, Molecules and Clusters》1991,19(4):423-425
The structural stability and energetics of carbon, silicon, and germanium microclusters containing 3?7 atoms have been investigated by using a recently developed empirical many-body potential energy function (PEF), which comprises two- and three-body atomic interactions. The PEF satisfies both bulk cohesive energy per atom and bulk stability exactly. It has been found that the most stable C3?4 microclusters are linear withD ∞h symmetry but C5?7 microclusters are planar withD nh symmetry. Silicon and germanium microclusters show similar structural stability. TheX n (X=Si, Ge;n=3?7) microclusters are found to be most stable in the following forms:X 3 is triangular withD 3h symmetry,X 4 is tetragonal withT d symmetry,X 5 is square pyramidal withD 4h symmetry,X 6 is bipyramidal square withO h symmetry, and finallyX 7 is square pyramidal having two atoms underneath withD 2h symmetry. 相似文献
3.
H. Güven N. Güngör A. Alemdar C. Ş. Özben 《Journal of Radioanalytical and Nuclear Chemistry》1996,214(4):269-276
Instrumental neutron activation analysis was applied to the determination of trace elements in a Na-bentonitic clay. The irradiation was done in the Triga Mark II type reactor of ITU Nuclear Energy Institute. The sample was irradiated in two steps for short- and long- lived isotopes. After irradiation, spectra were taken using a germanium detector, multichannel analyzer Canberra System 100 and a fitting program called Sampo 90. The spectra of short-lived isotopes were analyzed to determine Al, Mg, Na, K, Ca, Ti elements and Mn, V trace elements. The spectra of long-lived isotopes were analyzed to determine Sc, Br, Sb, Cs, La, Ce, Sm, Yb, Hf, Pa, Np trace elements. 相似文献
4.
Păcurariu C. Lazău R. I. Lazău I. Stoleriu Ş. 《Journal of Thermal Analysis and Calorimetry》2007,88(3):641-645
A kinetic study of the crystallization processes was performed for some decorative ceramic glazes in the PbO-SiO2-Na2O-K2O-CaO(BaO)-Al2O3-B2O3 system with addition of 10% TiO2 and ZnO. The crystallization kinetics has been studied in non-isothermal conditions using DTA technique. The apparent activation
energies of the crystallization processes were calculated using the Kissinger method. The main crystalline phase, which provides
the decorative effect, is rutile. This has been identified by X-ray diffraction and it is clearly visible in the optical microscopy
images taken in transmitted light, as needle-like or even prismatic crystals arranged in radial-fibrous aggregates. 相似文献
5.
M. Yurdakul 《Archiv der Mathematik》1993,61(4):385-390
We would like to thank the Turkish Scientific and Technical Research Council for partial support, and Prof. Dr. T. Terziolu for suggesting the problem and useful comments, and Prof. Dr. V. P. Zahariuta of drawing our attention to Fishman's result [5]. 相似文献
6.
M.Tahir Güllüo?lu?enay Yurdakul 《Journal of Molecular Structure》2002,641(1):93-100
New Hofmann-type complexes and clathrates of the forms M(piperidine)2Ni(CN)4 and M(piperidine)2Ni(CN)4·1.5G (M=Cd, Co, Ni or Cu; G=benzene) were prepared in powder form and their infrared and Raman spectra are reported. The spectral features suggest that these compounds are similar in structure to the Hofmann-type clathrates except for the copper compounds. The complex and clathrate of Cu have different spectral features in comparison with its analogues due to the Jahn-Teller effect. 相似文献
7.
Nonmetal cation (NMC) pentaborate structures were synthesized using the amino acid molecules as cations precursors. Chemical composition analysis, infrared spectroscopy, mass analysis, boron nuclear magnetic resonance, and thermal gravimetric analysis (TGA/DTA) methods were used for structural characterization. The hydrogen storage efficiency of molecules was also determined experimentally. The recorded infrared spectra support the structural similarities of the molecules. Stretchings of pentaborate rings and characteristic peaks of amino acids were detected in infrared spectra. When the thermal analysis curves were recorded, it was found that the structures showed similar decomposition steps. Due to the result of thermal decay, glassy boron oxide (B2O3) formation was observed as the final decomposition products of all molecules. Peaks associated with boric acid, triborate, and pentaborate were observed in the 11B spectra of these salts. Powder X-ray diffraction spectroscopy supports the presence of BO3 and BO4− groups regarding the presence of pentaborate rings. It also indicates the high crystallinity of the structures. The molecular cavities detected by brunauer–emmett–teller analysis were found to be 3.586, 1.922, 1.673, and 1.923 g/cm3. Low-molecular cavities can be attributed to the high hydrogen-bonding capacity of the structures. The hydrogen capture efficiency of the pentaborate salts was found to be in the range of 0.039-0. 相似文献
8.
The geometry, frequency, and intensity of the vibrational bands of imidazo[1,2-a]pyridine (which is abbreviated as impy) were
obtained by the density functional theory (DFT) calculations with BLYP, B3LYP, and B3PW91 functionals and 6-31G(d) basis set.
The optimized geometric bond lengths and bond angles are in good agreement with the available X-ray data. The infrared spectrum
of imidazo[1,2-a]pyridine was computed by the DFT method in order to reproduce the vibrational wavenumbers and intensities
with an accuracy, which allows reliable vibrational assignments. Total energy distribution and isotopic shifts have been calculated
in order to help for the perfect assignment of the vibrational modes. The zinc halide complexes Zn(impy)2X2 [X = Cl, Br, and I] have also been synthesized. The compounds were characterized using the elemental analysis, FT-IR spectra,
and quantum chemical calculations. The geometry optimization of Zn(impy)2X2 yields distorted tetrahedral environment around Zn ion. 相似文献
9.
10.
Ataç A Yurdakul Ş Berber S 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2011,81(1):684-689
We report synthesis of six new bis-nicotinamide metal(II) dihalide complexes [M(nia)(2)Cl(2); M = Mn, Co; nia:nicotinamide, M(nia)(2)Br(2); M = Mn, Hg; M(nia)(2)I(2); M = Cd, Cu], and their characterization by combining infrared spectroscopy with density functional theory (DFT) calculations. Infrared spectra indicate that ring-nitrogen is the active donor cite, and the atomic structure of the complexes is determined to be polymeric octahedral or distorted polymeric octahedral. Spin polarized electronic ground state is obtained for Mn, Co, and Cu halide complexes. The colors of the complexes also support the conclusion of octahedral coordination around the metal atoms, in agreement with DFT results. 相似文献