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1.
Substrate relaxation is shown to play an important role in the 1 : 2 regular chemisorption of hydrogen atoms above alternate carbon atoms in a graphite monolayer. Binding energy, population analysis and electron density maps show that the direct HC bond is strengthened on relaxation. 相似文献
2.
Cyclization of suitable enamino ketones can produce hydroxyphthalides. 相似文献
3.
13C-NMR analysis of the Reformatsky intermediates from t-btyl-α-bromo acetate, t-btyl-α-bromo isobutyrate and t-btyl-α-bromo prpionate have evidenced C-metallated species. Their ability to act as ncleophilic reagents under mild conditions and their selectivity towards hlogen-and oxygen containing electrophiles is reported. 相似文献
4.
The spectroscopic constants for the singlet and tripletstates of YCu below about 15 000 cm−1 are determined using an internally contracted multireference configuration-interaction approach. These calculations are calibrated by studies of fewer states using higher levels of correlation treatment and/or basis sets. The computed Tc values and radiative lifetimes are in reasonable agreement with experiment. The calculations confirm the previous experimental assignment for all but one state, where theory helps resolve between two possible assignments. 相似文献
5.
6.
The reaction of pure 2–4 and 2–6 tolylene diisocyanate with an OH terminated ethylene oxide-dimethylsiloxane-ethylene oxide ABA block copolymer was carried out directly in a n.m.r. tube. The kinetic of the reaction was studied by 1H nmr spectroscopy. 相似文献
7.
The coupling reaction of allylic halides with diffferent organometallic reagents has been widely utilized for synthetic purpose.1 Unfortunately, with the exception of primary halides which give mostly α attack and of hindered substrates which prefer γ attack, the lack of regioselectivity is a great handicap for the generalization of the method. 相似文献
8.
Jean M. J. Tronchet Fabienne De Villedon De Naide Alessandra Ricca Istvan Komaromi Françise Barbalat-Rey Michel Geoffroy 《Journal of carbohydrate chemistry》2013,32(4-5):537-556
Abstract A series of 3-(N-arylmethyl-N-hydroxyamino)-l,2-O-cyclopentylidene-3-deoxy-5-O-toluoyl-α-D-riboses has been prepared. The blocking groups used were chosen to allow an easy nucleosidation of these compounds to spin labelled analogs of natural nucleosides. The conformational behavior of the N-arylmethyl-N-hydroxyamino group has been studied using 3/CH NMR coupling data and molecular mechanics computations. Upon spontaneous oxidation, these hydroxylamines led to the corresponding aminoxyl free radicals which were submitted to EPR spectroscopy and quantum mechanical computations at a semiempirical level (PM3). 相似文献
9.
Helmut Duddeck M. H. A. Elgamal Guiliana Severini Ricca Bruno Danieli Giovanni Palmisano 《Magnetic resonance in chemistry : MRC》1978,11(3):130-132
The 13C NMR data of six pairs of 18α/18β-glycyrrhetic acid derivatives are presented. It is shown that the configuration at C-18 can easily be recognized by inspecting the chemical shifts of several characteristic carbons, e.g. C-12, C-13, C-18 and C-28. The shifts of these carbons originated by the change of the D/E ring junction proved to be largely independent of the substitution at C-3 and C-20. 相似文献
10.
Giuliana Severini Ricca Bruno Danieli Giovanni Palmisano Helmut Duddeck M. Hani A. Elgamal 《Magnetic resonance in chemistry : MRC》1978,11(4):163-166
The 13C NMR spectra of some pentacyclic triterpenoids, 3β-acetoxy-11-oxo-olean-12-ene-30-oic acid methyl ester, 3β-acetoxy-11-oxo-olean-12-ene-29-oic acid methyl ester, the corresponding 11-desoxo methyl esters, 3β-acetoxy-11-oxo-18α-olean-12-en-30-oic acid methyl ester and 3β-acetoxy-11-oxo-18α-olean-12-en-29-oic acid methyl ester are discussed. The shielding data are interpreted in term of the different orientation of the carbomethoxy group and of the change in configuration at the D/E ring junction and are diagnostically valuable for the differentiation of the mentioned compounds. 相似文献