全文获取类型
收费全文 | 822篇 |
免费 | 18篇 |
国内免费 | 3篇 |
专业分类
化学 | 433篇 |
晶体学 | 6篇 |
力学 | 25篇 |
数学 | 49篇 |
物理学 | 330篇 |
出版年
2023年 | 13篇 |
2022年 | 15篇 |
2021年 | 21篇 |
2020年 | 23篇 |
2019年 | 24篇 |
2018年 | 18篇 |
2017年 | 17篇 |
2016年 | 23篇 |
2015年 | 12篇 |
2014年 | 25篇 |
2013年 | 40篇 |
2012年 | 30篇 |
2011年 | 37篇 |
2010年 | 30篇 |
2009年 | 24篇 |
2008年 | 35篇 |
2007年 | 37篇 |
2006年 | 39篇 |
2005年 | 32篇 |
2004年 | 34篇 |
2003年 | 24篇 |
2002年 | 13篇 |
2001年 | 24篇 |
2000年 | 16篇 |
1999年 | 10篇 |
1998年 | 4篇 |
1997年 | 6篇 |
1995年 | 8篇 |
1994年 | 11篇 |
1993年 | 9篇 |
1992年 | 9篇 |
1991年 | 14篇 |
1990年 | 14篇 |
1989年 | 12篇 |
1988年 | 18篇 |
1987年 | 14篇 |
1986年 | 11篇 |
1985年 | 10篇 |
1984年 | 11篇 |
1983年 | 6篇 |
1982年 | 5篇 |
1981年 | 10篇 |
1980年 | 13篇 |
1979年 | 3篇 |
1978年 | 7篇 |
1977年 | 5篇 |
1976年 | 3篇 |
1974年 | 5篇 |
1973年 | 3篇 |
1933年 | 3篇 |
排序方式: 共有843条查询结果,搜索用时 0 毫秒
51.
H. Watanabe G. J. Lane G. D. Dracoulis A. P. Byrne P. Nieminen F. G. Kondev K. Ogawa M. P. Carpenter R. V. F. Janssens T. Lauritsen D. Seweryniak S. Zhu P. Chowdhury 《The European Physical Journal A - Hadrons and Nuclei》2009,42(2):163-169
The nucleus $\ensuremath {\rm ^{127}Sb}$ , which is on the neutron-rich periphery of the $\ensuremath \beta$ -stability region, has been populated in complex nuclear reactions involving deep-inelastic and fusion-fission processes with $\ensuremath {\rm {}^{136}Xe}$ beams incident on thick targets. The previously known isomer at 2325 keV in $\ensuremath {\rm {}^{127}Sb}$ has been assigned spin and parity $\ensuremath 23/2^+$ , based on the measured $\ensuremath \gamma$ - $\ensuremath \gamma$ angular correlations and total internal conversion coefficients. The half-life has been determined to be 234(12) ns, somewhat longer than the value reported previously. The 2194 keV state has been assigned $\ensuremath J^{\pi} = 19/2^+$ and identified as an isomer with $\ensuremath T_{1/2} = 14(1) {\rm ns}$ , decaying by two $\ensuremath E2$ branches. The observed level energies and transition strengths are compared with the predictions of a shell model calculation. Two $\ensuremath 15/2^+$ states have been identified close in energy, and their properties are discussed in terms of mixing between vibrational and three-quasiparticle configurations. 相似文献
52.
Satyajit Banerjee Atish Datta Chowdhury Subhas Kumar Ghosh 《Mathematics in Computer Science》2008,1(4):673-688
Obtaining a matching in a graph satisfying a certain objective is an important class of graph problems. Matching algorithms
have received attention for several decades. However, while there are efficient algorithms to obtain a maximum weight matching,
not much is known about the maximum weight maximum cardinality, and maximum cardinality maximum weight matching problems for
general graphs. Our contribution in this work is to show that for bounded weight input graphs one can obtain an algorithm
for both maximum weight maximum cardinality (for real weights), and maximum cardinality maximum weight matching (for integer
weights) by modifying the input and running the existing maximum weight matching algorithm. Also, given the current state
of the art in maximum weight matching algorithms, we show that, for bounded weight input graphs, both maximum weight maximum
cardinality, and maximum cardinality maximum weight matching have algorithms of similar complexities to that of maximum weight
matching. Subsequently, we also obtain approximation algorithms for maximum weight maximum cardinality, and maximum cardinality
maximum weight matching.
相似文献
53.
J. Chowdhury S. Sil S. N. Karmakar B. Bhattacharyya 《The European Physical Journal B - Condensed Matter and Complex Systems》2010,76(3):435-444
We have presented the role of the Coulomb interaction (U) and the magnetic
field [(B)\vec]\vec{B} on the ground state properties of the quasi-one dimensional
graphite ribbon structures at half-filling. Mean field Hartree-Fock
Approximation is used to study the systems. To understand the boundary effects
in graphite structures, we have compared the results of these systems
with those of the square lattice ribbon structures. Studying the density of
states, the Drude weight and the charge gap, we have drawn the U – B phase
diagrams for the zigzag and the armchair graphite ribbons. 相似文献
54.
Shubhamoy Chowdhury Arnab Bhattacharya Pinki Saha Smita Majumder E. Suresh 《Journal of Coordination Chemistry》2016,69(24):3664-3676
Employing 1-(2-methoxybenzyl)-2-(2-methoxyphenyl)-1H-benzimidazole (bpb) as a monodentate ligand, a new greenish-blue copper(II) complex, [Cu(bpb)2(NO3)2] (1a), has been synthesized. 1a has been characterized analytically and spectroscopically. The X-ray crystal structure of 1a reveals that it adopts a cis disposition with respect to the ligands. The solid state structure of 1a is stabilized by intramolecular offset face-to-face π–π stacking. Non-covalent supramolecular edge-to-face C–H?π interactions with neighboring molecules give 1-D supramolecular chains that further lead to the formation of an assembled 3-D supramolecular metal-organic framework via hydrogen bonding interactions. 1a shows blue fluorescence most likely due to intramolecular offset face-to-face π–π stacking. At room temperature, 1a is one-electron paramagnetic. It shows a rhombic EPR spectrum with g1 = 2.12, g2 = 2.42, and g3 = 2.52 in the solid state at liquid nitrogen temperature. In cyclic voltammetry, 1a displays a one-electron oxidative Cu(II)/Cu(III) couple. Our DFT calculations, corroborate the observed experimental results of 1a. 相似文献
55.
The exchange part of the usual Hartree-Fock potential in the unrestricted Hartree-Fock (UHF) theory is suitablyaveraged to construct an, average one-electron model Hamiltonian which generates a set of spin-restricted one-electron orbitals in
a self-consistent manner. These orbitals are then used to calculate the electronic energy of the open-shell system by using
the proper functional form for the energy which handles the exchange terms correctly. The eigenvalues ofF
av can be used for calculating either the spin-polarised or spin-averaged ionisation potentials of different orbitals at theKoopmans’ theorem level of approximation. Comparison ofE
ac with the UHF-energy shows thatE
UHF<E
ac in each case revealing some kind of an upper bound nature ofE
ac. An approximate variational argument is given. Relationship of our model with the hyper-Hartree-Fock theory of slater is
explored and the general problem of eliminating ‘self-interaction’ terms in average Fock-operator based theories is discussed. 相似文献
56.
Amit Mondal Biswajit Bhattacharya Susobhan Das Surojit Bhunia Rituparno Chowdhury Somnath Dey C. Malla Reddy 《Angewandte Chemie (International ed. in English)》2020,59(27):10971-10980
Ductility is a common phenomenon in many metals but is difficult to achieve in molecular crystals. Organic crystals bend plastically on one or two face‐specific directions but fracture when stressed in any other arbitrary directions. An exceptional metal‐like ductility and malleability in the isomorphous crystals of two globular molecules, BH3NMe3 and BF3NMe3, is reported, with characteristic tensile stretching, compression, twisting, and thinning. The mechanically deformed samples, which transition to lower symmetry phases, retain good long‐range order amenable to structure determination by single‐crystal X‐ray diffraction. Molecules in these high‐symmetry crystals interact through electrostatic forces (B??N+) to form columnar structures with multiple slip planes and weak dispersive forces between columns. On the other hand, the limited number of facile slip planes and strong dihydrogen bonding in BH3NHMe2 negates ductility. Our study has implications for the design of soft ferroelectrics, solid electrolytes, barocalorics, and soft robotics. 相似文献
57.
Pranesh Chowdhury Abhijit Hazra Maloy Kr. Mondal Bishnupada Roy Debiprasad Roy Shyama Prasad Bayen 《高分子科学杂志,A辑:纯化学与应用化学》2019,56(8):773-780
Poly(acrylic acid) (PAA) and its salt poly(acrylate) (PA) have been synthesized through modified free radical polymerization in environmentally begin aqueous medium under ultrasound to make the process robust. The synthesized polymer is well-characterized through conventional techniques. Its salt is employed to produce highly stable and stimuli sensitive colloidal silver (Ag-PA sol) without using any additional reducing chemical reagents like sodium borohydride, ascorbic acid, hydrazine, etc or UV/Gamma radiation. A detailed mechanistic path of the polymerization and reduction of Ag+ on polyacrylate chains has been evaluated. Finally Ag-PA sol is used for pH sensing through naked eye to eliminate the need for sophisticated instrument for data collection. The present work focuses mainly the development of a low cost pH sensing system based on colorimetric ‘smart polymer’ having high practical utility. The unique structural and photo-physical features of nano-scaled materials open new opportunities for the applications of colorimetric pH sensor. In the present work, Ag nano-clusters capped by PA? are employed as an effective colorimetric pH sensor for the first time, requiring no further functionalization. 相似文献
58.
Chowdhury MH Lakowicz JR Ray K 《The journal of physical chemistry. C, Nanomaterials and interfaces》2011,115(15):7298-7308
We present a strategy for enhancing the intrinsic emission of the enzyme cofactors flavin adenine dinucleotide (FAD), flavin mononucleotide (FMN) and nicotinamide adenine dinucleotide (NADH). Ensemble studies show that silver island films (SIFs) are the optimal metal enhanced fluorescence (MEF) substrates for flavins and gave emission enhancements of over 10-fold for both FAD and FMN. A reduction in the lifetime of FAD and FMN on SIFs was also observed. Thermally evaporated aluminum films on quartz slides were found to be the optimal MEF substrate for NADH and gave a 5-fold increase in the emission intensity of NADH. We present finite-difference time-domain (FDTD) calculations that compute the enhancement in the radiated power emitting from an excited state dipole emitting in the wavelength range of NADH in close proximity to an aluminum nanoparticle, and a dipole emitting in the emission wavelength of flavins next to a silver nanoparticle. These calculations confirm that aluminum serves as the optimal MEF substrate for NADH and silver was the optimal MEF substrate for flavins. This is because the plasmon resonance properties of aluminum lie in the UV-blue regime and that of silver lie in the visible region. We also present the results of single molecule studies on FMN which show SIFs can both significantly enhance the intrinsic emission from single FMN molecules, significantly reduce their lifetimes and also significantly reduce FMN blinking. This is the first report of the observation of MEF from cofactors both at the ensemble and single molecule level. We hope this study will serve as a platform to encourage the future use of metallic nanostructures to study cofactors using their intrinsic fluorescence to directly monitor enzyme binding reactions without the need of extrinsic labeling of the molecules. 相似文献
59.
Yafei Dai Sugata Chowdhury Estela Blaisten‐Barojas 《International journal of quantum chemistry》2011,111(10):2295-2305
First‐principles calculations are used to investigate the electronic properties of negatively charged n‐pyrrole oligomers with n = 2–18. Chains of neutral oligomers are bent, whereas the negatively charged oligomers become almost planar due to accumulation of negative charge at the end monomers. Isomers of short oligomers (n < 6) display negative electron affinity although the corresponding anions are energetically stable. For longer oligomers with n ≥ 6, the electron affinity is small and positive, slowly increasing with oligopyrrole length. Doping of 12‐pyrrole with lithium atoms shows that negative oxidation states are possible due to electron transfer from dopant to oligomer at locations close to dopant. These 12‐pyrrole regions support extra negative charge and exhibit a local structural change from benzenoid to quinoid structure in the C? C backbone conjugation. Comparison between neutral and doped polypyrrole (PPy) indicates that doped polymers displays a substantial depletion of the band gap energy and the appearance of dopant‐based bands in the gap for a 50% per monomer doping level. It is predicted that Li‐doped PPy is not metallic. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011 相似文献
60.
Rituparno Chowdhury Venkata Sai Sreyas Adury Amal Vijay Reman K. Singh Arnab Mukherjee 《化学:亚洲杂志》2021,16(12):1634-1642
Computational drug design is increasingly becoming important with new and unforeseen diseases like COVID-19. In this study, we present a new computational de novo drug design and repurposing method and applied it to find plausible drug candidates for the receptor binding domain (RBD) of SARS-CoV-2 (COVID-19). Our study comprises three steps: atom-by-atom generation of new molecules around a receptor, structural similarity mapping to existing approved and investigational drugs, and validation of their binding strengths to the viral spike proteins based on rigorous all-atom, explicit-water well-tempered metadynamics free energy calculations. By choosing the receptor binding domain of the viral spike protein, we showed that some of our new molecules and some of the repurposable drugs have stronger binding to RBD than hACE2. To validate our approach, we also calculated the free energy of hACE2 and RBD, and found it to be in an excellent agreement with experiments. These pool of drugs will allow strategic repurposing against COVID-19 for a particular prevailing conditions. 相似文献