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21.
22.
Barrett AG Crimmin MR Hill MS Hitchcock PB Procopiou PA 《Dalton transactions (Cambridge, England : 2003)》2008,(33):4474-4481
A series of heteroleptic beta-diketiminate-stabilised calcium amides of the form [{ArNC(Me)CHC(Me)NAr}Ca{NR(1)R(2)}(THF)] (Ar = 2,6-diisopropylphenyl; R(1) = H, R(2) = Ar; R(1) = H, R(2) = CH(2)CH(2)OMe; R(1) = R(2) = Ph) react with 1,3-dialkylcarbodiimides, R(3)N[double bond, length as m-dash]C[double bond, length as m-dash]NR(3) (R(3) = Cy, (i)Pr), to yield the corresponding insertion products [{ArNC(Me)CHC(Me)NAr}Ca{(R(3)N)(2)CNR(1)R(2)}(THF)] at room temperature in hydrocarbon solutions. These latter compounds contain both beta-diketiminate and guanidinate ligands bound to calcium. Solid-state data are consistent with the guanidinate ligands adopting a number of binding modes including kappa(2) through kappa(3) coordination, with varying degrees of delocalisation of the non-bound guanidinate nitrogen lone-pair across the pi-framework of the ligand. DFT computational studies have been conducted to address these variations in coordination behaviour. 相似文献
23.
Andreas S. Kalogirou Michael P. East Tuomo Laitinen Chad D. Torrice Kaitlyn A. Maffuid David H. Drewry Panayiotis A. Koutentis Gary L. Johnson Daniel J. Crona Christopher R. M. Asquith 《Molecules (Basel, Switzerland)》2021,26(19)
A focused series of substituted 4H-1,2,6-thiadiazin-4-ones was designed and synthesized to probe the anti-cancer properties of this scaffold. Insights from previous kinase inhibitor programs were used to carefully select several different substitution patterns. Compounds were tested on bladder, prostate, pancreatic, breast, chordoma, and lung cancer cell lines with an additional skin fibroblast cell line as a toxicity control. This resulted in the identification of several low single digit micro molar compounds with promising therapeutic windows, particularly for bladder and prostate cancer. A number of key structural features of the 4H-1,2,6-thiadiazin-4-one scaffold are discussed that show promising scope for future improvement. 相似文献
24.
Panayiotis V. Ioannou Prof. Dr. Dimitris G. Vachliotis Theodore D. Sideris 《无机化学与普通化学杂志》2009,635(2):329-336
The reaction of Bunsen's cacodyl disulfide, Me2As(S)‐S‐AsMe2, with heavy metal cations in methanol produces insoluble salts (complexes) of dimethyldithioarsinic acid, Me2AsS2H, and dimethyl arsenium ion, Me2As:+. This arsenium ion prefers to react with Me2As(S)‐S‐AsMe2, when in excess, compared to AcO? or MeOH/H2O and it is also reactive towards sulfur (Sx, x = 1‐8) producing the stabilized dimethylarsino sulfenium cation, . The complexes (Me2AsS2)xM (x = 1 or 2) are unstable in the presence of their own heavy metal cations decomposing to colored solids. In an attempt to prepare salts of Me2AsSH, the reactions of (Me2AsS2)xM with triphenylphosphine and trimethyl phosphite gave the metal sulfide and Me2As‐S‐AsMe2 instead. 相似文献
25.
Pseudospectra of matrix polynomials have been systematically investigated in recent years, since they provide important insights into the sensitivity of polynomial eigenvalue problems. An accurate approximation of the pseudospectrum of a matrix polynomial by means of the standard grid method is highly demanding computationally. In this paper, we propose an improvement of the grid method, which reduces the computational cost and retains the robustness and the parallelism of the method. In particular, after giving two lower bounds for the distance from a point to the boundary of the pseudospectrum of , we present two algorithms for the estimation of the pseudospectrum, using exclusion discs. Furthermore, two illustrative examples and an application of pseudospectra on elliptic (quadratic) eigenvalue problems are given. 相似文献
26.
Constantinides CP Koutentis PA Rawson JM 《Chemistry (Weinheim an der Bergstrasse, Germany)》2012,18(23):7109-7116
X-ray studies show that 1,3-diphenyl-7-(thien-2-yl)-1,4-dihydro-1,2,4-benzotriazin-4-yl (6) adopts a distorted, slipped π-stacked structure of centrosymmetric dimers with alternate short and long interplanar distances (3.48 and 3.52 ?). Cyclic voltammograms of 7-(thien-2-yl)benzotriazin-4-yl 6 show two fully reversible waves that correspond to the -1/0 and 0/+1 processes. EPR and DFT studies on radical 6 indicate that the spin density is mainly delocalized over the triazinyl fragment. Magnetic susceptibility measurements show that radical 6 obeys Curie-Weiss behavior in the 5-300 K region with C=0.378 emu K mol(-1) and θ=+4.72 K, which is consistent with ferromagnetic interactions between S=1/2 radicals. Fitting the magnetic susceptibility revealed the behavior is consistent with an alternating ferromagnetic chain (g=2.0071, J(1) =+7.12 cm(-1), J(2) =+1.28 cm(-1)). 相似文献
27.
Westlake P Siozos P Philippidis A Apostolaki C Derham B Terlixi A Perdikatsis V Jones R Anglos D 《Analytical and bioanalytical chemistry》2012,402(4):1413-1432
Wall paintings spanning two millennia of Cretan painting history and technology were analysed in an effort to determine similarities
and evolutions of painting materials and technology. A multi-technique approach was employed that combined the use of (a)
laser-induced breakdown spectroscopy (LIBS) and Raman microspectroscopy, based on mobile instrumentation, appropriate for
rapid, routine-level object characterization, and (b) non-destructive X-ray diffractometry (XRD), performed directly on the
wall painting fragment, which provides detailed information on the minerals constituting the paint. Elemental analysis data
obtained through LIBS were compared with molecular and crystal structure information from Raman spectroscopy and XRD. Cross-sections
from selected samples were also investigated by means of optical microscopy and scanning electron microscopy coupled to micro-probe
analysis and X-ray mapping that enabled identification of several mineral components of the paint confirming the results of
the XRD analysis. In parallel, replica wall paintings, created with known pigments and binding media for reference purposes,
were examined with optical microscopy and stain tested for organic materials. The overall study shows that the LIBS and Raman
techniques offer key advantages, such as instrument mobility and speed of data collection and interpretation that are particularly
important when dealing with on-site investigations. Thus, they are capable of providing important compositional information
in an effective manner that enables quick surveying of wall paintings and permit targeted sample selection for further analysis
by advanced laboratory techniques. 相似文献
28.
Christos P. Constantinides Dr. Panayiotis A. Koutentis Prof. Jeremy M. Rawson 《Chemistry (Weinheim an der Bergstrasse, Germany)》2012,18(48):15433-15438
7‐(4‐Fluorophenyl) and 7‐phenyl‐substituted 1,3‐diphenyl‐1,4‐dihydro‐1,2,4‐benzotriazin‐4‐yl radicals were characterized by X‐ray diffraction analysis and variable‐temperature magnetic susceptibility studies. The radicals pack in 1D π stacks of equally spaced slipped radicals with interplanar distances of 3.59 and 3.67 Å and longitudinal angles of 40.97 and 43.47°, respectively. Magnetic‐susceptibility studies showed that both radicals exhibit antiferromagnetic interactions. Fitting the magnetic data revealed that the behavior is consistent with 1D regular linear antiferromagnetic chain with J=?12.9 cm?1, zJ′=?0.4 cm?1, g=2.0069 and J=?11.8 cm?1, zJ′=?6.5 cm?1, g=2.0071, respectively. Magnetic‐exchange interactions in benzotriazinyl radicals are sensitive to the degree of slippage, and inter‐radical separation and subtle changes in structure alter the fine balance between ferro‐ and antiferromagnetic interactions. 相似文献
29.
An improved multi-staged algorithmic process for the solution of the examination timetabling problem
Christos?GogosEmail author Panayiotis?Alefragis Efthymios?Housos 《Annals of Operations Research》2012,194(1):203-221
The efficient creation of examination timetables is a recurring and important problem for universities worldwide. Good timetables
typically are characterized by balanced distances between consecutive exams for all students. In this contribution an approach
for the examination timetabling problem as defined in the second International Timetabling Competition () is presented. The solution approach is managed on the top level by GRASP (Greedy Randomized Adaptive Search Procedure) and
it involves several optimization algorithms, heuristics and metaheuristics. A construction phase is executed first producing
a relatively high quality feasible solution and an improvement phase follows that further ameliorates the produced timetable.
Each phase consists of stages that are consumed in a circular fashion. The procedure produces feasible solutions for each
dataset provided under the runtime limit imposed by the rules of the ITC07 competition. Results are presented and analyzed. 相似文献
30.
Panayiotis V. Ioannou 《Monatshefte für Chemie / Chemical Monthly》2012,2(1):1349-1356