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91.
A Multi-Sublattice Jump Diffusion Model (MSJD) for hydrogen diffusion through interstitial-site lattices is presented. The MSJD approach may, in principle, be considered as an extension of the Rowe et al.[1] model. Jump diffusion to any neighbours with different jump times which may be asymmetric in space is discussed. On the basis of the model a new method of calculating the diffusion tensor is advanced. The quasielastic, double differential cross section for thermal neutron scattering is obtained in terms of the MSJD model. The model can be used for systems in which interstitial jump diffusion of impurity particles occurs. In Part II the theoretical results are compared with those for quasielastic neutron scattering from the αNbHx system. 相似文献
92.
The two-parameter Multi-Sublattice Jump Diffusion Model (MSJD), presented in Part I[1], is applied to hydrogen diffusion in the α-phase of Nb-H. It is proved, mainly on the the basis of quasielastic neutron scattering experiments on a single crystal of NbH0.09[2] at T = 510°K, that diffusion occurs as a result of jumps between adjacent and second nearest neighbor tetrahedral interstitial sites. 相似文献
93.
Davis WB Hess S Naydenova I Haselsberger R Ogrodnik A Newton MD Michel-Beyerle ME 《Journal of the American Chemical Society》2002,124(11):2422-2423
The recent investigation of the apparently anomalous attenuation factor (beta > 1.5 A(-1)) for photoinduced hole injection into DNA duplexes modified by protonated 9-amino-6-chloro-2-methoxyacridine (X+) led to the conclusion that in addition to the electronic couplings, the activation energy must also be distance-dependent. In this communication we report the verification of this postulate by direct measurements of the activation energies for a series of (X+)-modified DNA duplexes which sample an appreciable range of donor-acceptor distances (approximately 4-11 A). The resulting changes in thermal activation energy can be explained within the framework of a distance-dependent reorganization energy. 相似文献
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96.
Marek Chmielewski Izabela Fokt Jacek Grodner Grzegorz Grynkiewicz Wieslaw Szeja 《Journal of carbohydrate chemistry》2013,32(5):735-741
Abstract Benzylated glycals, unlike their acylated congeners which easily undergo allylic rearrangement, are frequently employed as reactive enol ether type substrates in a variety of electrophilic addition reactions.1–4 Although these compounds are considered to be readily available substrates, reported procedures for their syntheses involve some steps of limited efficiency, chromatographic separations or costly reagents,5–7 and experimental requirements not amenable for large scale preparations. In view of the recent applications of benzylated glycals to syntheses of O-glycosides,1,2 C-glycosyl compounds,3 and β-lactams,4 we have undertaken a study aimed at efficient one step benzylation procedures applicable to pyranoid 1-enitols as well as to their acylated derivatives. This goal was eventually achieved by employing a catalytic phase transfer alkylation system with 相似文献
97.
Izabela Kaminska Wang Qi Alexandre Barras Janusz Sobczak Joanna Niedziolka‐Jonsson Patrice Woisel Joel Lyskawa William Laure Marcin Opallo Musen Li Rabah Boukherroub Sabine Szunerits 《Chemistry (Weinheim an der Bergstrasse, Germany)》2013,19(26):8673-8678
The large‐scale preparation of graphene is of great importance due to its potential applications in various fields. We report herein a simple method for the simultaneous exfoliation and reduction of graphene oxide (GO) to reduced GO (rGO) by using alkynyl‐terminated dopamine as the reducing agent. The reaction was performed under mild conditions to yield rGO functionalized with the dopamine derivative. The chemical reactivity of the alkynyl function was demonstrated by post‐functionalization with two thiolated precursors, namely 6‐(ferrocenyl)hexanethiol and 1H,1H,2H,2H‐perfluorodecanethiol. X‐ray photoelectron spectroscopy, UV/Vis spectrophotometry, Raman spectroscopy, conductivity measurements, and cyclic voltammetry were used to characterize the resulting surfaces. 相似文献
98.
The present work puts forward the results of the recordings carried out under high resolution by conventional, photographic spectroscopy and modern analysis of thirteen bands with v′ = 7-12 and v″ = 16-24 of the fourth-positive (A1Π → X1Σ+) band system. The current investigations include the region of the observed 13C16O molecule spectrum, much greater now than before. Especially, new transitions connected with not hitherto observed v′ = 12 vibrational level of the A1Π state, were recorded and studied. Moreover, the region of perturbations observed in the upper state of the fourth-positive system was significantly enlarged. The observed perturbations were confronted with those predicted from theoretical calculations. 相似文献
99.
Kruk I Zajdel P van Beek W Bakaimi I Lappas A Stock C Green MA 《Journal of the American Chemical Society》2011,133(35):13950-13956
Na(0.40(2))MnO(2) belongs to a family of mixed Mn(3+) and Mn(4+) porous oxides that contains both octahedral and square pyramidal Mn-O units. Neutron and synchrotron radiation studies identify the presence of both sodium ordering (T(Na) ≈ 310 K) and Mn charge and orbital ordering. Below T(Na), the centrosymmetric Pbam structure adopts an (ab 4c) supercell of Pnnm symmetry that accommodates a coupled commensurate modulation down the c-axis channels of both Na position and occupancy with Mn valence. 相似文献
100.