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排序方式: 共有97条查询结果,搜索用时 281 毫秒
1.
Chanjuan Zhang Dr. Philipp Gotico Dr. Regis Guillot Dr. Diana Dragoe Dr. Winfried Leibl Dr. Zakaria Halime Prof. Ally Aukauloo 《Angewandte Chemie (International ed. in English)》2023,62(8):e202300926
At the core of carbon monoxide dehydrogenase (CODH) active site two metal ions together with hydrogen bonding scheme from amino acids orchestrate the interconversion between CO2 and CO. We have designed a molecular catalyst implementing a bimetallic iron complex with an embarked second coordination sphere with multi-point hydrogen-bonding interactions. We found that, when immobilized on carbon paper electrode, the dinuclear catalyst enhances up to four fold the heterogeneous CO2 reduction to CO in water with an improved selectivity and stability compared to the mononuclear analogue. Interestingly, quasi-identical catalytic performances are obtained when one of the two iron centers was replaced by a redox inactive Zn metal, questioning the cooperative action of the two metals. Snapshots of X-ray structures indicate that the two metalloporphyrin units tethered by a urea group is a good compromise between rigidity and flexibility to accommodate CO2 capture, activation, and reduction. 相似文献
2.
Non‐Invasive Salivary Electrochemical Quantification of Paraquat Poisoning Using Boron Doped Diamond Electrode 下载免费PDF全文
Thiago Matheus Guimarães Selva William Reis de Araujo Thiago Regis Longo Cesar da Paixão 《Electroanalysis》2015,27(7):1642-1648
The present work describes the first electrochemical method for quantifying paraquat herbicide poisoning in human saliva samples. Paraquat shows two couples of well‐defined peaks in aqueous solution using a boron doped diamond (BDD) electrode. By using square wave voltammetry (SWV) technique under optimum experimental conditions, a linear analytical curve was obtained for paraquat concentrations ranging from 0.800 to 167 µmol L?1, with a detection limit of 70 nmol L?1. This method was applied to quantify paraquat spikes in human saliva samples and in two different water samples (tap and river). The recovery values obtained ranged from 83.0 to 104 % and 99.1 to 105 %, respectively, which highlight the accuracy of the proposed method. 相似文献
3.
4.
Regis F. Babindamana Cheikh Thiecoumba Gueye 《Journal of Mathematical Modelling and Algorithms》2011,10(3):277-291
We present a new approach of the decoding algorithm for Gabidulin Codes. In the same way as efficient erasure decoding for
Generalized Reed Solomon codes by using the structure of the inverse of the VanderMonde matrices, we show that, the erasure(t
erasures mean that t components of a code vector are erased) decoding Gabidulin code can be seen as a computation of three
matrice and an affine permutation, instead of computing an inverse from the generator or parity check matrix. This significantly
reduces the decoding complexity compared to others algorithms. For t erasures with t ≤ r, where r = n − k, the erasure algorithm decoding for Gab
n, k
(g) Gabidulin code compute the t symbols by simple multiplication of three matrices. That requires rt + r(k − 1) Galois field multiplications, t(r − 1) + (t + r)k field additions, r
2 + r(k + 1) field negations and t(k + 1) field inversions. 相似文献
5.
Filipe Belarmino de Lima Gessenildo Pereira Rodrigues Juracy Regis de Lucena Júnior Elizete Ventura Rui Fausto Igor Reva Silmar Andrade do Monte 《International journal of quantum chemistry》2020,120(16):e26263
Multi-reference configuration interaction, MR-CI (including extensivity corrections, named +Q), calculations were performed on the S0–S3 states of cyclohexa-2,4-diene-1-thione (thione 24 ) and cyclohexa-2,5-diene-1-thione (thione 25 ), which are thione isomers of thiophenol. Several types of uncontracted MR-CIS and MR-CISD wavefunctions were employed, comprising MR-CI expansions as large as ~365 × 106 configuration state functions. The nature of the studied excited states was characterized. Vertical excitation energies (ΔE) and oscillator strengths (f) were computed. The most intense transitions (S0 → S2 for 24 and S0 → S3 for 25 ) did not change with the wavefunction, although a variation as large as ~1 eV was obtained for the S3 state of 24 , at the highest (MR-CI+Q) level. On the other hand, ΔE changed at most by ~0.56 eV for 25 as the wavefunction changes, at the same level. The S1 state of both thiones was found to have nπ* character and is in the visible region. For 24 , S2 and S3 are ππ* and nπ* states, respectively, while for 25 the reverse order is obtained. S2 and S3 are in the range ~3.5 to 5.2 eV, again at the highest level. It is the first time that the excited states of the title molecules are studied. The computed results agree with the experimental onset of photoreactions of thiones 24 and 25 found by Reva et al (Phys. Chem. Chem. Phys., 2015 , 17, 4888). 相似文献
6.
7.
Sheldon S.Q. Wu Thomas F. Soules Scott C. Mitchell Raymond J. Beach 《Optics Communications》2008,281(5):1222-1225
We report a demonstration of a 795-nm rubidium optical resonance transition laser using a buffer gas consisting of pure 3He. This follows our recent demonstration of a hydrocarbon-free 795-nm rubidium resonance laser which used naturally-occurring He as the buffer gas. Using He gas that is isotopically enriched with 3He yields enhanced mixing of the Rb fine-structure levels. This enables efficient lasing at reduced He buffer gas pressure, improved thermal management in high average power Rb lasers and enhanced power scaling potential of such systems. 相似文献
8.
Regis D. Gougeon Dr. Marianna Lucio Arnaud De Boel Moritz Frommberger Dr. Norbert Hertkorn Dr. Dominique Peyron Dr. David Chassagne Dr. François Feuillat Dr. Philippe Cayot Prof. Andrée Voilley Prof. Istvan Gebefügi Dr. Philippe Schmitt‐Kopplin Priv.‐Doz. Dr. 《Chemistry (Weinheim an der Bergstrasse, Germany)》2009,15(3):600-611
A non‐targeted, ultra‐high‐resolution mass spectrometric, direct analysis of oak‐wood extracts from two species (Quercus robur L. and Quercus petraea Liebl.) from three French forests, and of a wine aged in barrels derived therefrom has been performed to identify families of metabolites that could discriminate both the species and the geographical origin of woods. From 12 T ultra‐high‐resolution Fourier transform ion cyclotron resonance mass spectra of wood extracts, hundreds of mass signals were identified as possible significant biomarkers of the two species, with phenolic and carbohydrate moieties leading the differentiation between Q. robur and Q. petraea, respectively, as corroborated by both FTMS and NMR data. For the first time, it is shown that oak woods can also be discriminated on the basis of hundreds of forest‐related compounds, and particular emphasis is put on sessile oaks from the Tronçais forest, for which sugars are significantly discriminant. Despite the higher complexity and diversity of wine metabolites, forest‐related compounds can also be detected in wines aged in related barrels. It is only by using these non‐targeted analyses that such innovative results, which reveal specific chemodiversities of natural materials, can be obtained. 相似文献
9.
Regis Guyonnet 《Journal of statistical physics》1991,65(1-2):269-289
The NMR properties of nuclei linked to long linear polymer molecules are sensitive to the influence of hard walls. In this context, the residual energy of tensorial spin-spin interactions is calculated using a path integral approach. Several thermodynamic quantities of the polymer system (free energy, equation of state,...) are also expressed, taking chain stiffness effects and the presence of two repulsive walls into consideration. 相似文献
10.
We introduce a master–worker framework for parallel global optimization of computationally expensive functions using response surface models. In particular, we parallelize two radial basis function (RBF) methods for global optimization, namely, the RBF method by Gutmann [Gutmann, H.M., 2001a. A radial basis function method for global optimization. Journal of Global Optimization 19(3), 201–227] (Gutmann-RBF) and the RBF method by Regis and Shoemaker [Regis, R.G., Shoemaker, C.A., 2005. Constrained global optimization of expensive black box functions using radial basis functions, Journal of Global Optimization 31, 153–171] (CORS-RBF). We modify these algorithms so that they can generate multiple points for simultaneous evaluation in parallel. We compare the performance of the two parallel RBF methods with a parallel multistart derivative-based algorithm, a parallel multistart derivative-free trust-region algorithm, and a parallel evolutionary algorithm on eleven test problems and on a 6-dimensional groundwater bioremediation application. The results indicate that the two parallel RBF algorithms are generally better than the other three alternatives on most of the test problems. Moreover, the two parallel RBF algorithms have comparable performances on the test problems considered. Finally, we report good speedups for both parallel RBF algorithms when using a small number of processors. 相似文献