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131.
Ljiljana Fruk Dr. Chi‐Hsien Kuo Eduardo Torres Dr. Christof M. Niemeyer Prof. Dr. 《Angewandte Chemie (International ed. in English)》2009,48(9):1550-1574
Enzymes with artificial cofactors : Nondiffusible organic cofactors of enzymes can often be replaced by artifical analogues to generate semisynthetic enzymes (see scheme). This approach can be used to study structure–function relationships in enzymology and to produce novel enzymes with enhanced or even entirely new functions that are useful for biosensing, biocatalysis, and materials science applications.
132.
Osama Shekhah Dr. Hui Wang Denise Zacher Roland A. Fischer Prof. Christof Wöll Prof. 《Angewandte Chemie (International ed. in English)》2009,48(27):5038-5041
One step at a time : The in situ monitoring of the step‐by‐step formation of metal–organic frameworks (MOFs) by using surface plasmon resonance (SPR), allows the nucleation process and the formation of the secondary building units to be investigated. Growth rates on functionalized organic surfaces with different crystallographic orientations can also be studied.
133.
Elena Bailo Ljiljana Fruk Christof M. Niemeyer Volker Deckert 《Analytical and bioanalytical chemistry》2009,394(7):1797-1801
Surface-enhanced Raman scattering was used as a spectroscopic tool to investigate the changes brought upon cytochrome P450BSß after fatty acid binding. Differences in the spectra of substrate-free and substrate-bound enzyme were observed indicating the potential for this method to be used in the screening of P450 substrates. In particular, the binding characteristics of myristic acid, an inherent substrate, and hydroxylauric acid, a product of fatty acid oxidation, towards P450BSß in the presence of H2O2 were investigated. Specific spectral changes could be assigned to changes in the heme environment only for myristic acid, indicating an occurrence of oxidation process characteristic for the enzymatic substrate. 相似文献
134.
Transition path theory (TPT) has been recently introduced as a theoretical framework to describe the reaction pathways of rare events between long lived states in complex systems. TPT gives detailed statistical information about the reactive trajectories involved in these rare events, which are beyond the realm of transition state theory or transition path sampling. In this paper the TPT approach is outlined, its distinction from other approaches is discussed, and, most importantly, the main insights and objects provided by TPT are illustrated in detail via a series of low dimensional test problems. 相似文献
135.
136.
Sergij Budnyk Christof Kubata Yurii Prots Walter Schnelle Reinhard Nesper Frank R. Wagner 《Journal of solid state chemistry》2006,179(8):2329-2338
Formation and crystal structure of the binary germanide Eu3Ge5 were investigated in detail. The compound forms peritectically at 1008 °C and does not undergo any phase transition down to room temperature. The crystal structure was determined first from X-ray powder diffraction data and was later confirmed by single-crystal X-ray diffraction: structure type Pu3Pd5, space group Cmcm (no. 63), , , . The main building blocks are Ge56− cluster anions surrounded by Eu2+ cations. The nearly tetragonal-pyramidal shape is suggested by the interatomic distances. Contrary to that, the bonding analysis with the electron localization function (ELF) reveals only two- and three-bonded germanium atoms forming a strongly distorted [1.1.1]-barrelane-like cluster. Despite the formal electron deficiency, compared to the barrelane C5H8, the electron counting in the cluster anion and its conformation cannot be interpreted applying the Wade's rules. In accordance with the calculated electronic density of states, Eu3Ge5 shows a metal-like temperature dependence of the electrical resistivity with a sharp change of ρ(T) slope at the Néel point. Above the Néel point the inverse magnetic susceptibility reveals Curie-Weiss behavior with an effective moment of 8.11 μB (Eu2+, 4f7 configuration) in agreement with the analysis of the chemical bonding. The 4f7 electronic configuration of europium is confirmed by Eu-LIII X-ray absorption spectroscopy. 相似文献
137.
The transition mechanism of jump processes between two different subsets in state space reveals important dynamical information of the processes and therefore has attracted considerable attention in the past years. In this paper, we study the first passage path ensemble of both discrete-time and continuous-time jump processes on a finite state space. The main approach is to divide each first passage path into nonreactive and reactive segments and to study them separately. The analysis can be applied to jump processes which are non-ergodic, as well as continuous-time jump processes where the waiting time distributions are non-exponential. In the particular case that the jump processes are both Markovian and ergodic, our analysis elucidates the relations between the study of the first passage paths and the study of the transition paths in transition path theory. We provide algorithms to numerically compute statistics of the first passage path ensemble. The computational complexity of these algorithms scales with the complexity of solving a linear system, for which efficient methods are available. Several examples demonstrate the wide applicability of the derived results across research areas. 相似文献
138.
Franziska Doll Annette Buntz Anne‐Katrin Späte Verena F. Schart Alexander Timper Waldemar Schrimpf Prof. Dr. Christof R. Hauck Prof. Dr. Andreas Zumbusch Prof. Dr. Valentin Wittmann 《Angewandte Chemie (International ed. in English)》2016,55(6):2262-2266
Protein glycosylation is a ubiquitous post‐translational modification that is involved in the regulation of many aspects of protein function. In order to uncover the biological roles of this modification, imaging the glycosylation state of specific proteins within living cells would be of fundamental importance. To date, however, this has not been achieved. Herein, we demonstrate protein‐specific detection of the glycosylation of the intracellular proteins OGT, Foxo1, p53, and Akt1 in living cells. Our generally applicable approach relies on Diels–Alder chemistry to fluorescently label intracellular carbohydrates through metabolic engineering. The target proteins are tagged with enhanced green fluorescent protein (EGFP). Förster resonance energy transfer (FRET) between the EGFP and the glycan‐anchored fluorophore is detected with high contrast even in presence of a large excess of acceptor fluorophores by fluorescence lifetime imaging microscopy (FLIM). 相似文献
139.
140.
Cooper R Bartels C Kandratsenka A Rahinov I Shenvi N Golibrzuch K Li Z Auerbach DJ Tully JC Wodtke AM 《Angewandte Chemie (International ed. in English)》2012,51(20):4954-4958
Surface phenomena: measurements of absolute probabilities are reported for the vibrational excitation of NO(v=0→1,2) molecules scattered from a Au(111) surface. These measurements were quantitatively compared to calculations based on ab?initio theoretical approaches to electronically nonadiabatic molecule-surface interactions. Good agreement was found between theory and experiment (see picture; T(s) =surface temperature, P=excitation probability, and E=incidence energy of translation). 相似文献