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排序方式: 共有5967条查询结果,搜索用时 15 毫秒
1.
Peralta Cecilia Mariana Acosta Gimena Henestrosa Cecilia Gil Raúl Andrés Fernández Liliana Patricia 《Journal of Analytical Chemistry》2022,77(3):308-317
Journal of Analytical Chemistry - The present development involved a flow injection strategy using a mini-column of multiwalled carbon nanotubes and fluorescent detection (λex of 283 nm,... 相似文献
2.
Bazarra Noelia Castejón Alberto Fernández José R. Quintanilla Ramón 《Meccanica》2021,56(12):3025-3037
Meccanica - In this work we study, from the numerical point of view, a one-dimensional thermoelastic problem where the thermal law is of type III. Quasi-static microvoids are also assumed within... 相似文献
3.
4.
Ojo Oluwasegun Taiwo Fernández Anta Antonio Lillo Rosa E. Sguera Carlo 《Advances in Data Analysis and Classification》2022,16(3):725-760
Advances in Data Analysis and Classification - We propose two new outlier detection methods, for identifying and classifying different types of outliers in (big) functional data sets. The proposed... 相似文献
5.
Dr. Mara Beltrán-Gastélum Dr. Berta Esteban-Fernández de Ávila Dr. Hua Gong Dr. Pooyath Lekshmy Venugopalan Prof. Dr. Tibor Hianik Prof. Dr. Joseph Wang Veronika Subjakova 《Chemphyschem》2019,20(23):3177-3180
Herein, we report ultrasound-propelled graphene-oxide coated gold nanowire motors, functionalized with fluorescein-labeled DNA aptamers (FAM-AIB1-apt), for qualitative detection of overexpressed AIB1 oncoproteins in MCF-7 breast cancer cells. The movement of nanomotors under the ultrasound field facilitated intracellular uptake and resulted in a faster aptamer binding with the target protein and thus faster fluorescence recovery. The propulsion behavior of the aptamer functionalized nanomotors greatly enhanced the fluorescence intensity compared to static conditions. The new aptamer@nanomotor-based strategy offers considerable potential for further development of sensing methodologies towards diagnosis of breast cancer. 相似文献
6.
Dr. Silvia Castro-Fernández Carlos M. Cruz Dr. Inês F. A. Mariz Dr. Irene R. Márquez Vicente G. Jiménez Lucía Palomino-Ruiz Prof. Juan M. Cuerva Dr. Ermelinda Maçôas Dr. Araceli G. Campaña 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(18):7205-7211
A new family of distorted ribbon-shaped nanographenes was designed, synthesized, and their optical and electrochemical properties were evaluated, pointing out an unprecedented correlation between their structural characteristics and the two-photon absorption (TPA) responses and electrochemical band gaps. Three nanographene ribbons have been prepared: a seven-membered-ring-containing nanographene presenting a tropone moiety at the edge, its full-carbon analogue, and a purely hexagonal one. We have found that the TPA cross-sections and the electrochemical band gaps of the seven-membered-ring-containing compounds are higher and lower, respectively, than those of the fully hexagonal polycyclic aromatic hydrocarbon (PAH). Interestingly, the inclusion of additional curvature has a positive effect in terms of non-linear optical properties of those ribbons. 相似文献
7.
Victor García Jesús Sánchez-Márquez Estefanía Torres David Zorrilla Manuel Fernández 《International journal of quantum chemistry》2020,120(6):e26129
As part of previous studies, we introduced a new type of basis function named Simplified Box Orbitals (SBOs) that belong to a class of spatially restricted functions which allow the zero differential overlap (ZDO) approximation to be applied with complete accuracy. The original SBOs and their Gaussian expansions SBO-3G form a minimal basis set, which was compared to the standard Slater-type orbital basis set (STO-3G). In the present paper, we have developed the SBO basis functions at double-zeta (DZ) level, and we have assessed the option of expanding the SBO-DZ as a combination of Gaussian functions. Finally, we have determined the quality of the new basis set by comparing the molecular properties calculated with SBO-nG with those achieved with some standard basis sets. 相似文献
8.
Dr. Jose Ángel Pino‐Chamorro Dr. Artem L. Gushchin Prof. M. Jesús Fernández‐Trujillo Dr. Rita Hernández‐Molina Dr. Cristian Vicent Dr. Andrés G. Algarra Prof. Manuel G. Basallote 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(7):2835-2844
A study, involving kinetic measurements on the stopped‐flow and conventional UV/Vis timescales, ESI‐MS, NMR spectroscopy and DFT calculations, has been carried out to understand the mechanism of the reaction of [Mo3S4(acac)3(py)3][PF6] ([ 1 ]PF6; acac=acetylacetonate, py=pyridine) with two RC?CR alkynes (R=CH2OH (btd), COOH (adc)) in CH3CN. Both reactions show polyphasic kinetics, but experimental and computational data indicate that alkyne activation occurs in a single kinetic step through a concerted mechanism similar to that of organic [3+2] cycloaddition reactions, in this case through the interaction with one Mo(μ‐S)2 moiety of [ 1 ]+. The rate of this step is three orders of magnitude faster for adc than that for btd, and the products initially formed evolve in subsequent steps into compounds that result from substitution of py ligands or from reorganization to give species with different structures. Activation strain analysis of the [3+2] cycloaddition step reveals that the deformation of the two reactants has a small contribution to the difference in the computed activation barriers, which is mainly associated with the change in the extent of their interaction at the transition‐state structures. Subsequent frontier molecular orbital analysis shows that the carboxylic acid substituents on adc stabilize its HOMO and LUMO orbitals with respect to those on btd due to better electron‐withdrawing properties. As a result, the frontier molecular orbitals of the cluster and alkyne become closer in energy; this allows a stronger interaction. 相似文献
9.
Beatriz Pelado Dr. Fawzi Abou‐Chahine Joaquín Calbo Dr. Rubén Caballero Dr. Pilar de la Cruz Dr. José M. Junquera‐Hernández Prof. Enrique Ortí Prof. Nikolai V. Tkachenko Prof. Fernando Langa 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(15):5814-5825
The role of π‐conjugated molecular bridges in through‐space and through‐bond electron transfer is studied by comparing two porphyrin–fullerene donor–acceptor (D–A) dyads. One dyad, ZnP–Ph–C60 (ZnP=zinc porphyrin), incorporates a phenyl bridge between D and A and behaves very similarly to analogous dyads studied previously. The second dyad, ZnP–EDOTV–C60, introduces an additional 3,4‐ethylenedioxythienylvinylene (EDOTV) unit into the conjugated bridge, which increases the distance between D and A, but, at the same time, provides increased electronic communication between them. Two essential outcomes that result from the introduction of the EDOTV unit in the bridge are as follows: 1) faster charge recombination, which indicates enhanced electronic coupling between the charge‐separated and ground electronic states; and 2) the disappearance of the intramolecular exciplex, which mediates photoinduced charge separation in the ZnP–Ph–C60 dyad. The latter can be interpreted as a gradual decrease in electronic coupling between locally excited singlet states of D and A when introducing the EDOTV unit into the D–A bridge. 相似文献
10.