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991.
The mean first passage time (MFPT) as dwell time in high spin metastable state of spin-crossover solids is investigated both analytically and numerically. Calculations showed that the MFPT decreases with the increases of a distance from metastable state. The probability density function has also been examined. 相似文献
992.
LetH
∞ be the algebra of bounded analytic functions in the unit diskD. LetI=I(f
1,...,f
N) be the ideal generated byf
1,...,f
N∈H
∞ andJ=J(f
1,...,f
N) the ideal of the functionsf∈H
∞ for which there exists a constantC=C(f) such that |f(z)|≤C(|f
1
(z)|+...;+|f
N
(z)|),z∈D. It is clear that
, but an example due to J. Bourgain shows thatJ is not, in general, in the norm closure ofI. Our first result asserts thatJ is included in the norm closure ofI ifI contains a Carleson-Newman Blaschke product, or equivalently, if there existss>0 such that
Our second result says that there is no analogue of Bourgain's example in any Hardy spaceH
p, 1≤p<∞. More concretely, ifg∈H
p and the nontangential maximal function of
belongs toL
p (T), theng is in theH
p-closure of the idealI.
Both authors are supported in part by DGICYT grant PB98-0872 and CIRIT grant 1998SRG00052. 相似文献
993.
Tae‐Jin Kim Sung‐Kwan Kim Beom‐Jun Kim Ho‐Jin Son Jong Sok Hahn Minserk Cheong Prof. Mariusz Mitoraj Dr. Monika Srebro Łukasz Piękoś Artur Michalak Prof. Sang Ook Kang Prof. 《Chemistry (Weinheim an der Bergstrasse, Germany)》2010,16(19):5630-5644
A series of mono‐, bis‐, and tris(phenoxy)–titanium(IV) chlorides of the type [Cp*Ti(2‐R? PhO)nCl3?n] (n=1–3; Cp*=pentamethylcyclopentadienyl) was prepared, in which R=Me, iPr, tBu, and Ph. The formation of each mono‐, bis‐, and tris(2‐alkyl‐/arylphenoxy) series was authenticated by structural studies on representative examples of the phenyl series including [Cp*Ti(2‐Ph? PhO)Cl2] ( 1 PhCl2 ), [Cp*Ti(2‐Ph? PhO)2Cl] ( 2 PhCl ), and [Cp*Ti(2‐Ph? PhO)3] ( 3 Ph ). The metal‐coordination geometry of each compound is best described as pseudotetrahedral with the Cp* ring and the 2‐Ph? PhO and chloride ligands occupying three leg positions in a piano‐stool geometry. The mean Ti? O distances, observed with an increasing number of 2‐Ph? PhO groups, are 1.784(3), 1.802(4), and 1.799(3) Å for 1 PhCl2 , 2 PhCl , and 3 Ph , respectively. All four alkyl/aryl series with Me, iPr, tBu, and Ph substituents were tested for ethylene homopolymerization after activation with Ph3C+[B(C6F5)4]? and modified methyaluminoxane (7% aluminum in isopar E; mMAO‐7) at 140 °C. The phenyl series showed much higher catalytic activity, which ranged from 43.2 and 65.4 kg (mmol of Ti?h)?1, than the Me, iPr, and tBu series (19.2 and 36.6 kg (mmol of Ti?h)?1). Among the phenyl series, the bis(phenoxide) complex of 2 PhCl showed the highest activity of 65.4 kg (mmol of Ti?h)?1. Therefore, the catalyst precursors of the phenyl series were examined by treating them with a variety of alkylating reagents, such as trimethylaluminum (TMA), triisobutylaluminum (TIBA), and methylaluminoxane (MAO). In all cases, 2 PhCl produced the most catalytically active alkylated species, [Cp*Ti(2‐Ph? PhO)MeCl]. This enhancement was further supported by DFT calculations based on the simplified model with TMA. 相似文献
994.
Kowalczyk P Gauden PA Terzyk AP Bhatia SK 《Langmuir : the ACS journal of surfaces and colloids》2007,23(7):3666-3672
Hydrogen in slit-like carbon nanopores at 77 K represents a quantum fluid in strong confinement. We have used path-integral grand canonical Monte Carlo and classical grand canonical Monte Carlo simulations for the investigation of the "quantumness" of hydrogen at 77 K adsorbed in slit-like carbon nanopores up to 1 MPa. We find that classical simulations overpredict the hydrogen uptake in carbon nanopores due to neglect of the quantum delocalization. Such disagreement of both simulation methods depends on the slit-like carbon pore size. However, the differences between the final uptakes of hydrogen computed from both classical and quantum simulations are not large due to a similar effective size of quantum/classical hydrogen molecules in carbon nanospaces. For both types of molecular simulations, the volumetric density of stored energy in optimal carbon nanopores exceeds 6.4 MJ dm(-3) (i.e., 45 kg m(-3); Department of Energy target for 2010). In contrast to the hydrogen adsorption isotherms, we found a large reduction of isosteric enthalpy of adsorption computed from the quantum Feynman's path-integral simulations in comparison to the classical values at 77 K and pressures up to 1 MPa. Depression of the quantum isosteric enthalpy of adsorption depends on the slit-like carbon pore size. For the narrow pores (pore width H in [0.59-0.7] nm), the reduction of the quantum isosteric enthalpy of adsorption at zero coverage is around 50% in comparison to the classical one. We observed new phenomena called, by us, the quantum confinement-inducing polymer shrinking. In carbon nanospaces, the quantum cyclic polymers shrink, in comparison to its bulk-phase counterpart, due to a strong confinement effect. At considered storage conditions, this complex phenomenon depends on the size of the slit-like carbon nanopore and the density of hydrogen volumetric energy. For the smallest nanopores and a low density of hydrogen volumetric energy, the reduction of the polymer effective size is the highest, whereas an increase of the pore size and the density of hydrogen volumetric energy causes the polymer swelling up to a value slightly below the one computed from the bulk phase. Quantum confinement-inducing polymer shrinking is of great importance for realizing the potential of quantum molecular sieves. 相似文献
995.
Dr. Cátia I. C. Esteves Luís F. B. Fontes Prof. Dr. João Rocha Prof. Dr. Artur M. S. Silva Dr. Samuel Guieu 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(53):e202201844
The dynamic nature of excited-state intramolecular proton transfer (ESIPT) and its effect on emission spectra is an attractive strategy to create multi-emissive dyes. Here we describe the behavior of a series of hydrogen-bonded triphenylpyridines with a set of donor–acceptor combinations that allowed us to perceive the influence of each substitution on the photophysical properties of the dyes. The susceptibility of these ESIPT moieties to pH variations was also studied, elucidating that the level of protonation had a significant effect on the emission color. The assignment of each emission band was made by using DFT and td-DFT calculations that were in agreement with the experimental results. This study emphasizes the versatility of triphenylpyridines that can be synthesized effortlessly with a logical and independent C-2, C-4 and C-6 substitution in order to have the desired ESIPT modulation and subsequent multi-emission response. 相似文献
996.
Tomasz Wasilewski Urszula Piotrowska Artur Seweryn Zofia Nizioł-Łukaszewska Marcin Sobczak 《Green Chemistry Letters and Reviews》2018,11(4):419-428
This paper attempts to demonstrate empirically the possibility of using a hydrophobic extract of hop cone obtained under the conditions of supercritical carbon dioxide to produce all-purpose cleaner with antimicrobial activity and low irritant potential. A series of prototypes of products varied by the extract concentration was developed. The formulations were assessed for physicochemical properties: particle size, turbidity, and color. The results indicate that the hydrophobic extracts of hop cone can be a valuable component of chemical products intended for washing, having a broad spectrum of action and contributing to improvement of the product’s safety. 相似文献
997.
de Mello Rodrigo Santos Lucas H.E. Pupo Marília M.S. Eguiluz Katlin I.B. Salazar-Banda Giancarlo R. Motheo Artur J. 《Journal of Solid State Electrochemistry》2018,22(5):1571-1580
Journal of Solid State Electrochemistry - Electrochemical processes have a considerable impact on the treatment of contaminated water and wastewater, since water reuse is becoming increasingly... 相似文献
998.
Artur Mardyukov Andr K. Eckhardt Peter R. Schreiner 《Angewandte Chemie (International ed. in English)》2020,59(14):5577-5580
We present the first spectroscopic identification of hitherto unknown 1,1‐ethenediol, the enol tautomer of acetic acid. The title compound was generated in the gas phase through flash vacuum pyrolysis of malonic acid at 400 °C. The pyrolysis products were subsequently trapped in argon matrices at 10 K and characterized spectroscopically by means of IR and UV/Vis spectroscopy together with matching its spectral data with computations at the CCSD(T)/cc‐pCVTZ and B3LYP/6–311++G(2d,2p) levels of theory. Upon photolysis at λ=254 nm, the enol rearranges to acetic acid and ketene. 相似文献
999.
Danielle Cristina Teles-Ferreira Dr. Irene Conti Dr. Rocío Borrego-Varillas Dr. Artur Nenov Dr. Ivo H. M. Van Stokkum Dr. Lucia Ganzer Dr. Cristian Manzoni Dr. Ana Maria de Paula Prof. Giulio Cerullo Prof. Marco Garavelli 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(1):336-343
Photoinduced processes in thiouracil derivatives have lately attracted considerable attention due to their suitability for innovative biological and pharmacological applications. Here, sub-20 fs broadband transient absorption spectroscopy in the near-UV are combined with CASPT2/MM decay path calculations to unravel the excited-state decay channels of water solvated 2-thio and 2,4-dithiouracil. These molecules feature linear absorption spectra with overlapping ππ* bands, leading to parallel decay routes which we systematically track for the first time. The results reveal that different processes lead to the triplet states population, both directly from the ππ* absorbing state and via the intermediate nπ* dark state. Moreover, the 2,4-dithiouracil decay pathways is shown to be strongly correlated either to those of 2- or 4-thiouracil, depending on the sulfur atom on which the electronic transition localizes. 相似文献
1000.
Sintsov Sergey Mansfeld Dmitry Preobrazhensky Evgeny Kornev Roman Chekamrev Nikita Viktorov Mikhail Ermakov Artur Vodopyanov Alexander 《Plasma Chemistry and Plasma Processing》2022,42(6):1237-1247
Plasma Chemistry and Plasma Processing - In this paper, we present the results of non-contact measurements of electron density in an inductively coupled chemically active plasma at a pressure of... 相似文献