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21.
Efficacy of incorporating PCMs into the commercial wall on the energy-saving annual thermal analysis
Nguyen Quyen Naghieh Alireza Kalbasi Rasool Akbari Mohammad Karimipour Arash Tlili Iskander 《Journal of Thermal Analysis and Calorimetry》2021,143(3):2179-2187
Journal of Thermal Analysis and Calorimetry - In this study, the efficacy of incorporating phase change material (PCM) into the building walls on the annual heat transfer reduction is examined.... 相似文献
22.
Previously, master equation (ME) simulations using semiclassical transition state theory (SCTST) and high-accuracy extrapolated ab initio thermochemistry (HEAT) predicted rate constants in excellent agreement with published experimental data over a wide range of pressure and temperatures ≳250 K, but the agreement was not as good at lower temperatures. Possible reasons for this reduced performance are investigated by (a) critically evaluating the published experimental data and by investigating; (b) three distinct ME treatments of angular momentum, including one that is exact at the zero- and infinite-pressure limits; (c) a hindered-rotor model for HOCO that implicitly includes the cis- and trans-conformers; (d) possible empirical adjustments of the thermochemistry; (e) possible empirical adjustments to an imaginary frequency controlling tunneling; (f) including or neglecting the prereaction complex PRC1; and (g) its possible bimolecular reactions. Improvements include better approximations to factors in SCTST and using the Hill and van Vleck treatment of angular momentum coupling. Evaluation of literature data does not reveal any specific shortcomings, but the stated uncertainties may be underestimated. All ME treatments give excellent fits to experimental data at T ≥ 250 K, but the discrepancy at T < 250 K persists. Note that each ME model requires individual empirical energy transfer parameters. Thermochemical adjustments were unable to match the experimental H/D kinetic isotope effects. Adjusting an imaginary frequency can achieve good fits, but the adjustments are unacceptably large. Whether PRC1 and its possible bimolecular reactions are included had little effect. We conclude that none of the adjustments is an improvement over the unadjusted theory. Note that only one set of experimental data exists in the regime of the discrepancy with theory, and data for DO + CO are scanty. 相似文献
23.
Leiqing Hu Sankhajit Pal Hien Nguyen Vinh Bui Haiqing Lin 《Journal of polymer science. Part A, Polymer chemistry》2020,58(18):2467-2481
Over the last two decades, polymers with superior H2/CO2 separation properties at 100–300 °C have gathered significant interest for H2 purification and CO2 capture. This timely review presents various strategies adopted to molecularly engineer polymers for this application. We first elucidate the Robeson's upper bound at elevated temperatures for H2/CO2 separation and the advantages of high-temperature operation (such as improved solubility selectivity and absence of CO2 plasticization), compared with conventional membrane gas separations at ~35 °C. Second, we describe commercially relevant membranes for the separation and highlight materials with free volumes tuned to discriminate H2 and CO2, including functional polymers (such as polybenzimidazole) and engineered polymers by cross-linking, blending, thermal treatment, thermal rearrangement, and carbonization. Third, we succinctly discuss mixed matrix materials containing size-sieving or H2-sorptive nanofillers with attractive H2/CO2 separation properties. 相似文献
24.
Yoichi Makimizu Nhat Truong Nguyen Jiri Tucek Hyo-Jin Ahn JeongEun Yoo Mahshid Poornajar Imgon Hwang Stepan Kment Prof. Dr. Patrik Schmuki 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(12):2685-2692
Photoelectrochemical (PEC) water splitting is a promising method for the conversion of solar energy into chemical energy stored in the form of hydrogen. Nanostructured hematite (α-Fe2O3) is one of the most attractive materials for a highly efficient charge carrier generation and collection due to its large specific surface area and the short minority carrier diffusion length. In the present work, the PEC water splitting performance of nanostructured α-Fe2O3 is investigated which was prepared by anodization followed by annealing in a low oxygen ambient (0.03 % O2 in Ar). It was found that low oxygen annealing can activate a significant PEC response of α-Fe2O3 even at a low temperature of 400 °C and provide an excellent PEC performance compared with classic air annealing. The photocurrent of the α-Fe2O3 annealed in the low oxygen at 1.5 V vs. RHE results as 0.5 mA cm−2, being 20 times higher than that of annealing in air. The obtained results show that the α-Fe2O3 annealed in low oxygen contains beneficial defects and promotes the transport of holes; it can be attributed to the improvement of conductivity due to the introduction of suitable oxygen vacancies in the α-Fe2O3. Additionally, we demonstrate the photocurrent of α-Fe2O3 annealed in low oxygen ambient can be further enhanced by Zn-Co LDH, which is a co-catalyst of oxygen evolution reaction. This indicates low oxygen annealing generates a promising method to obtain an excellent PEC water splitting performance from α-Fe2O3 photoanodes. 相似文献
25.
Mohanad A. Hussein Dr. Uyen P. N. Tran Dr. Vien T. Huynh Dr. Junming Ho Dr. Mohan Bhadbhade Prof. Dr. Herbert Mayr Dr. Thanh V. Nguyen 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(4):1471-1475
Tropylium bromide undergoes noncatalyzed, regioselective additions to a large variety of Michael acceptors. In this way, acrylic esters are converted into β-bromo-α-cycloheptatrienylpropionic esters. The reactions are interpreted as nucleophilic attack of bromide ions at the electron-deficient olefins and the approach of the tropylium ion to the incipient carbanion. Quantum chemical calculations were performed to elucidate the analogy to the amine- or phosphine-catalyzed Rauhut–Currier reactions. Subsequent synthetic transformations of the bromo-cycloheptatrienylated adducts are reported. 相似文献
26.
Nguyen T. N. Lee Y. M. Wu J. S. Lin M. C. 《Plasma Chemistry and Plasma Processing》2019,39(6):1559-1573
Plasma Chemistry and Plasma Processing - The mechanisms and kinetics for the thermal decomposition of SiH2+ and SiH3+ ions, and related reverse reactions involving their ion fragments have been... 相似文献
27.
Numerical Algorithms - In this paper, basing on the subgradient extragradient method and inertial method with line-search process, we introduce two new algorithms for finding a common element of... 相似文献
28.
Numerical Algorithms - In this paper, we introduce a self-adaptive inertial gradient projection algorithm for solving monotone or strongly pseudomonotone variational inequalities in real Hilbert... 相似文献
29.
Xuan B. Nguyen Yuji Nakano Nisharnthi M. Duggan Lydia Scott Martin Breugst David W. Lupton 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2019,131(33):11607-11614
Direct polarity inversion of conjugate acceptors provides a valuable entry to homoenolates. N‐heterocyclic carbene (NHC) catalyzed reactions, in which β‐unsubstituted conjugate acceptors undergo homoenolate formation and C?C bond formation twice, have been developed. Specifically, the all‐carbon (5+1) annulations give a range of mono‐ and bicyclic cyclohexanones (31 examples). In the first family of annulations, β‐unsubstituted acrylates tethered to a divinyl ketone undergo cycloisomerization, providing hexahydroindenes and tetralins. In the second, partially untethered substrates undergo an intermolecular (5+1) annulation involving dimerization followed by cycloisomerization. While enantioselectivity was not possible with the former, the latter proved viable, allowing cyclohexanones to be produced with high levels of enantiopurity (most >95:5 e.r.) and exclusive diastereoselectivity (>20:1 d.r.). Derivatizations and mechanistic studies are also reported. 相似文献
30.