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61.
62.
The Zn(II) complex, dichloro[N-hydroxy-1,1-di(2-pyridinyl)methanimine]zinc(II), was synthesized from the reaction between ZnCl2 and di-2-pyridylketone oxime. The structural and spectral characterizations were performed by using single crystal X-ray diffraction, FT-IR, Laser-Raman, NMR and UV–Vis spectroscopic techniques. To support experimental evidences, computational results were obtained with the DFT/B3LYP method using the 6-311++G(d,p)+LanL2DZ mixed basis set. Theoretical analyses of some structural and spectroscopic results of effects of intermolecular Cl···H interactions in the crystal packing of the Zn(II) complex were investigated with the mentioned computational level. The non-bonding interactions in the experimental crystal packing of the complex were examined by Hirshfeld surface analysis. The HOMO and LUMO analyses were used for investigation of electronic transitions obtained with UV–Vis spectroscopy. NBO analyses were used to investigate the hyperconjugation interactions between donor and acceptor groups, coordination environment, electronic configuration and electron numbers of the Zn(II) metal ion and the natural atomic charges of the complex. The nucleophilic and electrophilic reactive sites of the complex were studied by MEP surface analysis. The static polarizabilities (α) and static hyperpolarizabilities (β) were analyzed theoretically to characterize NLO profile of the complex. The interaction with A-DNA (PDB ID: 1ZF6) of the Zn(II) complex was investigated with a molecular docking study. 相似文献
63.
The fabrication of nanoparticles has been perused as a topic of critical importance in the present decades. Biosynthesis of nanoparticles employs plants extract instead of harmful chemicals. These plant extracts act as reducing and capping agents which is the most appropriate and eco-friendly method among all the preparative routs. In present study, the magnetite nanoparticles (Fe3O4-NPs) were fabricated using rapid, single step and benign biosynthetic rout by reduction of ferric nitrate nonahydrate solution with Ferocactus echidne aqueous extract containing ascorbic acid as a main reducing and capping agent. The structural and morphological properties of prepared iron oxide nanoparticles were investigated by Powder X-ray diffraction and scanning electron microscopy. The size of the synthesized nanoparticles was approximately 15 ± 2 nm as determined by Scherrer equation. The biosynthetically fabricated nanoparticles were employed as catalyst for pyrolysis of nutshells to produce biofuel. Catalytic pyrolysis of biomass yields biofuel as an alternative source of energy and chemical feed stock. Effect of temperature, heating rate, and amount of catalyst were investigated on conversion percentage and product yields. Aniline point, carbon residue, and cetane number of prepared bio-oil were also determined. 相似文献
64.
Alp Arslan Kiraç 《Letters in Mathematical Physics》2008,83(2):149-161
Consider the Mathieu–Hill operator
in , where . We obtain the precise asymptotic formulas for the widths γ
k
of the instability intervals of L. The formula states the isolated terms of arbitrary number in the asymptotics of the sequence γ
k
for large k and verifies the results of Harrell (Am J Math suppl:139–150, 1981) and Avron and Simon (Ann Phys 134:76–84, 1981).
相似文献
65.
Ali Dogan Hüseyin Arslan 《Russian Journal of Physical Chemistry A, Focus on Chemistry》2020,94(2):332-340
Russian Journal of Physical Chemistry A - However, up to the present, there was few reports on the density of the molten Ag–Au–Cu and Cu–Ag–In alloy systems. In this work,... 相似文献
66.
Khadichakhan Rafikova Nil Ertekin Binbay Nermin Meriç Aygul Kerimkulova Alexey Zazybin Veysel Binbay Veysi Okumuş Cezmi Kayan Uğur Işik Nevin Arslan Murat Aydemir 《应用有机金属化学》2020,34(7):e5658
Four metal complexes, IL-OPPh2-Ru-p-cymene (3) , IL-OPPh2-Ru-benzene (4) , IL-OPPh2-Ir-Cp* (5) , IL-OPPh2-Rh-COD (6) , have been evaluated for in vitro antioxidant activity such as 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging and reducing power activity. Maximum scavenging activity (71.43%) was obtained with IL-OPPh2-Ru-p-cymene, whereas IL-OPPh2-Rh-COD showed the highest reducing power ability. The complexes were also studied for their antimicrobial activity against three Gram-positive and three Gram-negative bacteria. In addition, DNA binding of the complexes was evaluated using calf thymus DNA. Both Ru(II) complexes exhibited good DNA-binding activity while the other complexes did not have any activity. Furthermore, ab initio quantum calculations of four complexes were also carried out using density functional theory to better understand their chemical behaviors. 相似文献
67.
Numerical Algorithms - The k th Fréchet derivative of a matrix function f is a multilinear operator from a cartesian product of k subsets of the space $\mathbb {C}^{n\times n}$ into itself. We... 相似文献
68.
Arslan Asli Ergenekon Arslan Oguz Kandemir Suheyla Yerel 《Journal of Thermal Analysis and Calorimetry》2021,146(3):1191-1192
Journal of Thermal Analysis and Calorimetry - In the original publication of the article, the following equations has been incorrectly published. The corrected equations are given. 相似文献
69.
Hakan Arslan Donald VanDerveer Ismail Ozdemir Bekir Cetinkaya Serpil Demir 《Journal of chemical crystallography》2005,35(6):491-495
Two imidazolidin ruthenium complexes, [RuCl2{[N-(2,4,6-trimethyl-benzyl)-N-(n-butyl)]-imidazolidin-2-ylidene}], 1, and [RuCl2{[N-(2,4,6-trimethyl-benzyl)-N-(2-methoxyethyl)]-imidazolidin-2-ylidene}], 2, have been synthesised and their crystal structures have been determined from single crystal X-ray diffraction data. Compound 1 is monoclinic, of space group C2/c with a = 18.466(4) Å, b = 14.816(3) Å, c = 15.413(3) Å, β = 118.067(2)∘, and V = 3720.9(12) Å3 with Z = 8 for dcalc = 1.536 g/cm3. Compound 2 is monoclinic, of space group P21/c with a = 8.1800(5) Å, b = 14.344(8) Å, c = 14.809(9), β = 91.604(10)∘, and V = 1736.7(18) Å3 with Z = 4 for dcalc = 1.653 g/cm3. In each complex the ligand functions as an arene and carbene, occupying four coordination sites. The two chlorines in each compound complete a distorted octahedron. 相似文献
70.
We synthesized a series of novel macrocycles with diamide-diester groups (S,S)-1, (S,S)-2, (S,S)-3, and (R,R)-1, derived from dimethyloxalate and amino alcohols by high dilution technique, and evaluated enantiomeric recognition properties of these macrocycles toward primary alkyl ammonium salts by 1H NMR titration. Taking into account the host employed, important differences were observed in the Ka values of (R)-Am and (S)-Am for (S,S)-1 and (R,R)-1 hosts, KS/KR = 5.55 and KR/KS = 3.65, Delta Delta Go = 0.43 and -0.32 kJ mol-1, respectively. There seems a general tendency for the host to include the guests with the same absolute configuration. 相似文献