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排序方式: 共有121条查询结果,搜索用时 15 毫秒
1.
Horng-Shyang Chen Shun-Lee Liu C. C. Yang Yean-Woei Kiang 《Optics Communications》2003,220(4-6):383-388
We report the reduced waveguiding efficiency for the signals around 1560 nm as the injection current of an GaAs/AlGaAs multiple quantum well laser diode (lasing wavelength at 840 nm) with a ridge-loading waveguide configuration increased. This reduction trend stopped when the injection current reached the threshold condition of the laser diode. The decreased waveguide transmission and the more expanded mode profile indicated the variation of the effective refractive index gradient in the lateral dimension with injection current. This variation was due to the refractive index decrease with increasing carrier density even below band gap. A slab waveguide model was used to simulate the lateral mode profile variation with injection current. The refractive index differences between the guiding layer and claddings in the slab waveguide model provided estimates of refractive index contrasts of the laser diode at a concerned wavelength under various injection conditions. 相似文献
2.
L. H. Klemm D. R. Mccoy J. Shabtai W. K. T. Kiang 《Journal of heterocyclic chemistry》1969,6(6):813-818
A study was made of the formation of thieno[2,3-c]pyridine (1) from hydrogen sulfide and 4-vinylpyridine in a flow system at 630°. 2-(4-Pyridyl)ethanethiol and bis-2-(4-pyridyl)ethyl sulfide were found to be likely intermediates. Based on these studies, there was devised a two-step practical preparative method for I (optimum overall yield 58%) which consists of preliminary conversion of 4-vinylpyridine to benzyl 2-(4-pyridyl)ethyl sulfide and subsequent thermolysis (at 605°) of this substance. 相似文献
3.
4.
Fisher's droplet picture is used to define a “microscopic” surface tension for small droplets. The nucleation rate is then calculated. Excellent agreement between experiments and our calculations has been found for H2O, CH3OH, C2H5OH, NH3, C6H6, CHCl3 and CCl3F. 相似文献
5.
R. Q. Topper K. Chung C. M. Boelke D. Louie J. S. Kang R. Hannan T. Kiang L. H. Chan 《Theoretical chemistry accounts》2003,109(4):233-238
2-(Acetylamino)fluorene (AAF), a potent mutagen and a prototypical example of the mutagenic aromatic amines, forms covalent
adducts to DNA after metabolic activation in the liver. A benchmark study of AAF is presented using a number of the most widely
used molecular mechanics and semiempirical computational methods and models. The results are compared to higher-level quantum
calculations and to experimentally obtained crystal structures. Hydrogen bonding between AAF molecules in the crystal phase
complicates the direct comparison of gas-phase theoretical calculations with experiment, so Hartree–Fock (HF) and Becke–Perdew
(BP) density functional theory (DFT) calculations are used as benchmarks for the semiempirical and molecular mechanics results.
Systematic conformer searches and dihedral energy landscapes were carried out for AAF using the SYBYL and MMFF94 molecular
mechanics force fields; the AM1, PM3 and MNDO semiempirical quantum mechanics methods; HF using the 3-21G*and 6-31G* basis
sets; and DFT using the nonlocal BP functional and double numerical polarization basis sets. MMFF94, AM1, HF and DFT calculations
all predict the same planar structures, whereas SYBYL, MNDO and PM3 all predict various nonplanar geometries. The AM1 energy
landscape is in substantial agreement with HF and DFT predictions; MMFF94 is qualitatively similar to HF and DFT; and the
MNDO, PM3 and SYBYL results are qualitatively different from the HF and DFT results and from each other. These results are
attributed to deficiencies in MNDO, PM3 and SYBYL. The MNDO, PM3 and SYBYL models may be unreliable for compounds in which
an amide group is immediately adjacent to an aromatic ring.
Received: 26 May 2002 / Accepted: 12 December 2002 /
Published online: 14 February 2003 相似文献
6.
Characteristic polynomials of acyclic carbon chains (Huckel trees) are treated in a systematic way. Formulas of coefficients (ak) of the polynomial are obtained in terms of connectivities that were introduced for dealing with moments in a previous paper. Based on the meaning of ak, a graph-theoretical analysis is given such that ak can be expressed as a linear combination of binomial factors specified by a set of graphs containing ½k edges. The numerical relationship is disclosed between each binomial factor and its specified graph. This stimulates the proposal of a novel approach for evaluating ak by simply collecting the graph set of defnite edges. The approach is equally applicable for the evaluation of matching polynomials of cyclic systems and extendable to the investigation of general trees. 相似文献
7.
8.
Alex Yong Sheng Eng Adriano Ambrosi Chun Kiang Chua Filip Šaněk Prof. Zdeněk Sofer Prof. Martin Pumera 《Chemistry (Weinheim an der Bergstrasse, Germany)》2013,19(38):12673-12683
Graphene and graphene oxides are materials of significant interest in electrochemical devices such as supercapacitors, batteries, fuel cells, and sensors. Graphene oxides and reduced graphenes are typically prepared by oxidizing graphite in strong mineral acid mixtures with chlorate (Staudenmaier, Hofmann) or permanganate (Hummers, Tour) oxidants. Herein, we reveal that graphene oxides pose inherent electrochemistry, that is, they can be oxidized or reduced at relatively mild potentials (within the range ±1 V) that are lower than typical battery potentials. This inherent electrochemistry of graphene differs dramatically from that of the used oxidants. Graphene oxides prepared using chlorate exhibit chemically irreversible reductions, whereas graphene oxides prepared through permanganate‐based methods exhibit very unusual inherent chemically reversible electrochemistry of oxygen‐containing groups. Insight into the electrochemical behaviour was obtained through cyclic voltammetry, chronoamperometry, and X‐ray photoelectron spectroscopy experiments. Our findings are of extreme importance for the electrochemistry community as they reveal that electrode materials undergo cyclic changes in charge/discharge cycles, which has strong implications for energy‐storage and sensing devices. 相似文献
9.
Inside Cover: Rational Design of Carboxyl Groups Perpendicularly Attached to a Graphene Sheet: A Platform for Enhanced Biosensing Applications (Chem. Eur. J. 1/2014) 下载免费PDF全文
10.
Tails of tuning curves of auditory-nerve fibers 总被引:2,自引:0,他引:2