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LoSecco JM Bionta RM Biewitt G Bratton CB Casper D Chrysicopoulou P Claus R Cortez BG Errede S Foster GW Gajewski W Ganezer KS Goldhaber M Haines TJ Jones TW Kielczewska D Kropp WR Learned JG Lehmann E Park HS Reines F Schultz J Seidel S Shumard E Sinclair D Sobel HW Stone JL Sulak L Svoboda R van der Velde JC Wuest C 《Physical review letters》1985,54(21):2299-2301
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Summary A numer of bonded stationary phases were investigated for the separation of Cd2+, Cu2+, Fe3+, Mn2+, Ni2+, Pb2+, and Zn2+ by thin-layer chromatography. The effect of structure, surface loading, type of silica gel and mobile phase concentration was considered. 相似文献
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Simulations that sample from the canonical ensemble can be generated by the addition of a single degree of freedom, provided that the system is ergodic, as described by Nosé with subsequent modifications by Hoover to allow sampling in real time. Nosé-Hoover dynamics is not ergodic for small or stiff systems and the addition of auxiliary thermostats is needed to overcome this deficiency. Nosé-Hoover dynamics, like its derivatives, does not have a Hamiltonian structure, precluding the use of symplectic integrators which are noted for their long term stability and structure preservation. As an alternative to Nosé-Hoover, the Hamiltonian Nosé-Poincaré method was proposed by Bond, Laird, and Leimkuhler [J. Comput. Phys. 151, 114 (1999)], but the straightforward addition of thermostatting chains does not sample from the canonical ensemble. In this paper a method is proposed whereby additional thermostats can be applied to a Hamiltonian system while retaining sampling from the canonical ensemble. This technique has been used to construct thermostatting chains for the Nosé and Nosé-Poincaré methods. 相似文献
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Davies SG Díez D El Hammouni MM Garner AC Garrido NM Long MJ Morrison RM Smith AD Sweet MJ Withey JM 《Chemical communications (Cambridge, England)》2003,(19):2410-2411
Comparison of the kinetic and parallel kinetic resolutions of methyl (RS)-5-tert-butyl-cyclopentene-1-carboxylate allows for the efficient synthesis of both (1R,2S,5S)- and (1S,2R,5R)-enantiomers of methyl 2-amino-5-tert-butyl-cyclopentane-1-carboxylate. 相似文献
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William L. Albrecht Winton D. Jones F. William Sweet 《Journal of heterocyclic chemistry》1978,15(2):209-215
The reaction of cyclic-α-haloketones with 5-subslituted-4-amino-4H-1,2,4-triazole-3-lhiols gave s-triãzolocycloalkylhydrothiadiazines and s-triazolobenzocycloalkylthiadiazines. Reduetion of the 5,5a-imine bond of the s-triazoloeycloalkylthiadiazines gave s-triazolocycloalkylhydrothia-diazines. 相似文献
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In this paper we study the solvability of nonlinear, discrete-time boundary value problems for functional equations. Conditions are established for the existence of solutions to problems of the form $$x(k + 1) = f(k, x(k)) + \lambda g(k, x(k)); \quad k = 0, 1, 2, \ldots$$ 相似文献