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1.
Prof. Dr. Ivo Leito Prof. Dr. Ilmar A. Koppel Dr. Ivar Koppel Dr. Karl Kaupmees Sofja Tshepelevitsh Jaan Saame 《Angewandte Chemie (International ed. in English)》2015,54(32):9262-9265
The potential limits of superbasicity achievable with different families of neutral bases by expanding the molecular framework are explored using DFT computations. A number of different core structures of non‐ionic organosuperbases are considered (such as phosphazenes, guanidinophosphazenes, guanidino phosphorus ylides). A simple model for describing the dependence of basicity on the extent of the molecular framework is proposed, validated, and used for quantitatively predicting the ultimate basicities of different compound families and the rates of substituent effect saturation. Some of the considered bases (guanidino phosphorus carbenes) are expected to reach gas‐phase basicity around 370 kcal mol?1, thus being the most basic neutral bases ever reported. Also, the classical substituted alkylphosphazenes were predicted to reach pKa values of around 50 in acetonitrile, which is significantly higher than previously expected. 相似文献
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Recently, there has been observed an interesting correspondence between supersymmetric quiver gauge theories with four supercharges and integrable lattice models of statistical mechanics such that the two-dimensional spin lattice is the quiver diagram, the partition function of the lattice model is the partition function of the gauge theory and the Yang–Baxter equation expresses the identity of partition functions for dual pairs. This correspondence is a powerful tool which enables us to generate new integrable models. The aim of the present paper is to give a short account on a progress in integrable lattice models which has been made due to the relationship with supersymmetric gauge theories and make clear notes on the special functions used by several authors. 相似文献
3.
I. Koppel L. Michaelis P. Rona C. Drucker W. Gerlach K. Jellinek P. Debye E. Sauter M. von Rohr Ch. Boehringer H. Dingler L. Gilbert und W. Kroll 《Fresenius' Journal of Analytical Chemistry》1931,83(5-6):188-190
Ohne Zusammenfassung 相似文献
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R. Abbeg Fr. Auerbach I. Koppel E. Rabinowitsch Otto Sackur Clara v. Simson und Karl Jellinek 《Fresenius' Journal of Analytical Chemistry》1928,74(9):345-348
Ohne Zusammenfassung 相似文献
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Charly Mayeux Peeter Burk Jean-Francois Gal Ivari Kaljurand Ilmar Koppel Ivo Leito Lauri Sikk 《Journal of the American Society for Mass Spectrometry》2014,25(11):1962-1973
According to high level calculations, the upper part of the previously published FT-ICR lithium cation basicity (LiCB at 373 K) scale appeared to be biased by a systematic downward shift. The purpose of this work was to determine the source of this systematic difference. New experimental LiCB values at 373 K have been measured for 31 ligands by proton-transfer equilibrium techniques, ranging from tetrahydrofuran (137.2 kJ mol?1) to 1,2-dimethoxyethane (202.7 kJ mol?1). The relative basicities (ΔLiCB) were included in a single self-consistent ladder anchored to the absolute LiCB value of pyridine (146.7 kJ mol?1). This new LiCB scale exhibits a good agreement with theoretical values obtained at G2(MP2) level. By means of kinetic modeling, it was also shown that equilibrium measurements can be performed in spite of the formation of Li+ bound dimers. The key feature for achieving accurate equilibrium measurements is the ion trapping time. The potential causes of discrepancies between the new data and previous experimental measurements were analyzed. It was concluded that the disagreement essentially finds its origin in the estimation of temperature and the calibration of Cook’s kinetic method. Graphical Abstract
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Kütt A Rodima T Saame J Raamat E Mäemets V Kaljurand I Koppel IA Garlyauskayte RY Yagupolskii YL Yagupolskii LM Bernhardt E Willner H Leito I 《The Journal of organic chemistry》2011,76(2):391-395
In this paper, we report the most comprehensive equilibrium superacidity scale that is available to date. Contrary to most of the past works, this scale is set up in a medium of constant composition and the obtained acidity values characterize the acidities of molecules rather than acidities of media. The current scale is thus complementary to the well-known H(0) scale in the information that it provides. The solvent used is 1,2-dichloroethane (DCE). DCE has very weak basic properties (but sufficiently high polarity) and is an appropriate solvent for measuring acidities of very strong acids of diverse chemical nature. DCE acidities of well-known superacids (CF(3)SO(2)OH, (CF(3)SO(2))(2)NH, cyanocarbon acids, etc.) as well as common mineral acids (H(2)SO(4), HI, HBr, etc.) are reported. Acidities of altogether 62 acids have been determined from 176 interlinked relative acidity measurements. The scale spans 15 orders of magnitude (from picric acid to 1,1,2,3,3-pentacyanopropene) and is expected to be a useful tool in design, use, and further acidity measurements of superacidic molecules. 相似文献
10.
Indrek Koppel Tamara Aid-Pavlidis Kaur Jaanson Mari Sepp Priit Pruunsild Kaia Palm T?nis Timmusk 《BMC neuroscience》2009,10(1):68