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71.
This paper deals with the Neumann problem of the pre-Maxwell partial differential equations for a vector field v defined in a region G ? R 3. We approximate its uniquely determined solution (integrability conditions assumed) uniformly on G by explicitly computable particular integrals and linear combinations of vector fields with a “fundamental” sequence of points . 相似文献
72.
Hermann König 《Mathematische Annalen》1978,233(1):35-48
We derive results on the interpolation of complete quasinormed operator ideals, mainly for the absolutelyp-summing and thes-number idealsS
p
s
defined by Pietsch. By estimating theK-Functional of Peetre, we get that the interpolation ideal (S
p1
s
,S
p2
s
),,p
is contained inS
p
s
and is even equal to it in the case of the approximation numbers. A similar fact is proved for absolutely (p, q)-summing operators, interpolating the first index. We show further that the absolutelyp-summing operators onc
0 are contained in the complex interpolation space (
p1
(c
o),
p2
(c
o))[].The previous results are then applied to prove summability properties for the eigenvalues of operators in Banach spaces, which are products ofS
p1
s
-type and absolutelyp
j
-summing operators. Roughly speaking, the summability order is the harmonic sum of thep
i
- andp
j
-indices, wherep
j
2. In the case of Hilbert spaces, this reduces to the well-known Weyl-inequality. The method uses an abstract interpolation estimate for ideal quasinorms which may be useful also for other operator ideals. 相似文献
73.
Daniel S. Covita Dimitrios F. Anagnostopoulos Hermann Fuhrmann Hubert Gorke Detlev Gotta Alexander Gruber Albert Hirtl Tomoichi Ishiwatari Paul Indelicato Thomas S. Jensen Eric-Olivier Le Bigot Valeri E. Markushin Michael Nekipelov Vladimir N. Pomerantsev Vladimir P. Popov Joaquim M. F. dos Santos Philipp Schmid Leopold M. Simons Marian Theisen Martino Trassinelli Joao F. C. A. Veloso Johann Zmeskal 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2018,72(4):72
74.
A cheap synthesis of the so‐called ‘decalin‐1,8‐diones’ started with the conjugate (1,4‐) addition of cyclohex‐2‐en‐1‐one derivatives to the γ‐position of the dilithium derivative (buta‐1,3‐diene‐1,1‐bis(olate)) of crotonic acid. Hydrogenation of these ‘1,4‐γ’ adducts and final cyclization afforded the enol tautomers of decalin‐1,8‐diones. Nucleophilic substitutions at these 3‐oxoenols by NH3 or primary amines created only monoamino products (namely, 3‐oxoenamines) whose reactions with OPCl3 yielded dihydro(1,3,2)oxazaphosphinin‐2‐one derivatives. The two regioisomers of a trimethyl‐3‐oxoenamine served as models for the constitutional assignments of the two rapidly interconverting (hence, individually NMR‐invisible), tautomeric trimethyl‐3‐oxoenols. Such methyl substitutions served to break the ‘pretended’ symmetry of ‘decalin‐1,8‐dione’. Hydrazine and 3‐oxoenols furnished oxygen‐free indazole derivatives whose N?H bonds exchanged with t1/2=ca. 0.00035 s at ca. ?58(9) °C. 相似文献
75.
Dr. Chavdar Slavov Dr. Chong Yang Andreas H. Heindl Prof. Hermann A. Wegner Prof. Andreas Dreuw Prof. Josef Wachtveitl 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(1):388-395
Azoheteroarene photoswitches have attracted attention due to their unique properties. We present the stationary photochromism and ultrafast photoisomerization mechanism of thiophenylazobenzene (TphAB). It demonstrates impressive fatigue resistance and photoisomerization efficiency, and shows favorably separated (E)- and (Z)-isomer absorption bands, allowing for highly selective photoconversion. The (Z)-isomer of TphAB adopts an unusual orthogonal geometry where the thiophenyl group is perfectly perpendicular to the phenyl group. This geometry is stabilized by a rare lone-pair⋅⋅⋅π interaction between the S atom and the phenyl group. The photoisomerization of TphAB occurs on the sub-ps to ps timescale and is governed by this interaction. Therefore, the adoption and disruption of the orthogonal geometry requires significant movement along the inversion reaction coordinates (CNN and NNC angles). Our results establish TphAB as an excellent photoswitch with versatile properties that expand the application possibilities of AB derivatives. 相似文献
76.
Johannes C. B. Dietschreit Annika Wagner T. Anh Le Philipp Klein Prof. Dr. Hermann Schindelin Prof. Dr. Till Opatz Prof. Dr. Bernd Engels Prof. Dr. Ute A. Hellmich Prof. Dr. Christian Ochsenfeld 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(31):12769-12773
The absence of fluorine from most biomolecules renders it an excellent probe for NMR spectroscopy to monitor inhibitor–protein interactions. However, predicting the binding mode of a fluorinated ligand from a chemical shift (or vice versa) has been challenging due to the high electron density of the fluorine atom. Nonetheless, reliable 19F chemical-shift predictions to deduce ligand-binding modes hold great potential for in silico drug design. Herein, we present a systematic QM/MM study to predict the 19F NMR chemical shifts of a covalently bound fluorinated inhibitor to the essential oxidoreductase tryparedoxin (Tpx) from African trypanosomes, the causative agent of African sleeping sickness. We include many protein–inhibitor conformations as well as monomeric and dimeric inhibitor–protein complexes, thus rendering it the largest computational study on chemical shifts of 19F nuclei in a biological context to date. Our predicted shifts agree well with those obtained experimentally and pave the way for future work in this area. 相似文献
77.
Hermann Render 《Mathematische Annalen》1995,303(1):307-324
Partially supported by NSF grants DMS-9208071 and DMS-9100383 相似文献
78.
We consider the product AB of two finite mutually permutable subgroups A, B and find some subnormal subgroups of the product. This leads to local and otherwise generalized statements about products of supersolvable groups.Received: 19 May 2004 相似文献
79.
The ASED-MO method has been used to gather electronic and energetic information on Pd deposits on Ni(111) and Pd atom inclusion in the first Ni layer since these model catalysts exhibit a striking catalytic efficiency towards butadiene hydrogenation. The electronic structure of Pd atoms is strongly altered compared with pure Pd. A Pd(4d)→Pd(5s) electronic transfer occurs in the case of the deposit when a slight similar transfer and a charge transfer from Pd to surrounding Ni takes place in the case of the inclusion. Those results are consistent with XPS experimental data. A low density of states, near the Fermi level, is also observed. The optimal geometrical situation for Pd deposits is found to be 2D-aggregates (in pseudoepitaxy or pseudomorphy with the underlying Ni surface, depending on the aggregate size). Small aggregates (part of the first Ni layer) are found to be the most stable in the case of a Pd inclusion in the Ni with a Pd---Pd distance of 2.64 Å, in agreement with available EXAFS experimental data. 相似文献
80.
In a recent paper [O. Bärwald, R.W. Gebert, M. Günaydin and H. Nicolai, preprint KCL-MTH-97-22, IASSNS-HEP-97/20, PSU-TH-178, AEI-029, hep-th/9703084, to appear in Commun. Math. Phys.] it was conjectured that the imaginary simple roots of the Borcherds algebra II9,1 at level 1 are its only ones. We here propose an independent test of this conjecture, establishing its validity for all roots of norm − 8. However, the conjecture fails for roots of norm −10 and beyond, as we show by computing the simple multiplicities down to norm −24, which turn out to be remarkably small in comparison with the corresponding E10 multiplicities. Our derivation is based on a modified denominator formula combining the denominator formulas for E10 and II9,1, and provides an efficient method for determining the imaginary simple roots. In addition, we compute the E10 multiplicities of all roots up to height 231, including levels up to l = 6 and norms −42. 相似文献