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101.
Iain A. Stewart 《Mathematical Logic Quarterly》1997,43(1):1-21
We investigate the definability in monadic ∑11 and monadic Π11 of the problems REGk, of whether there is a regular subgraph of degree k in some given graph, and XREGk, of whether, for a given rooted graph, there is a regular subgraph of degree k in which the root has degree k, and their restrictions to graphs in which every vertex has degree at most k, namely REGkk and XREGkk, respectively, for k ≥ 2 (all our graphs are undirected). Our motivation partly stems from the fact (which we prove here) that REGkk and XREGkk are logspace equivalent to CONN and REACH, respectively, for k ≥ 3, where CONN is the problem of whether a given graph is connected and REACH is the problem of whether a given graph has a path joining two given vertices. We use monadic first - order reductions, monadic ∑11 games and a recent technique due to Fagin, Stockmeyer and Vardi to almost completely classify whether these problems are definable in monadic ∑11 and monadic Π11, and we compare the definability of these problems (in monadic ∑11 and monadic Π11 with their computational complexity (which varies from solvable using logspace to NP - complete). 相似文献
102.
Tetrakis(dimethylamino)ethene (TDAE) and trimethylamine react with anhydrous unsaturated fluorocarbons to produce, ‘in situ’, powerful fluoride- ion sources. These are used to initiate carbon- carbon bond forming reactions eg. oligomerisation and polyfluoroalkylation, and many of these reactions occur efficiently in the absence of a solvent. 相似文献
103.
Donald B. Boyd David W. Smith James J. P. Stewart Erich Wimmer 《Journal of computational chemistry》1988,9(4):387-398
The monocyclic β-lactam [[4(S)-methyl-2-oxo-1-azetidinyl]thia]acetic acid was studied by the semiempirical molecular orbital methods AM1, MNDO, and MINDO/3. Using the reaction coordinate option in the program MOPAC on VAX and Cray X-MP computers, the potential energy curve was calculated for rotation of the C2-N1-S-C torsional angle in the conformationally flexible side chain while optimizing all other geometrical variables in the molecule. The trajectory taken during geometry optimization was found to be sensitive to the computer, the program version, the convergence criteria, and the degree of code optimization used in the calculation. In order to reduce the likelihood of spurious results, conformational or reaction energy hypersurfaces need to be calculated with the more precise SCF convergence and minimization criteria available in programs for MINDO/3, MNDO, and AM1 calculations. The nitrogen in the model β-lactam antibiotic is predicted to invert periodically as the dihedral angle to the exocyclic N-substituent sweeps through 360°. 相似文献
104.
The Mathematical Intelligencer - We expected a fair number of participants to drop out as the course progressed. Indeed, we had raised the numbers to 48 anticipating this. In fact the average level... 相似文献
105.
Tin(II) chloride inserts into the ironcarbon σ-bond in MeFe(CO)2Cp (Cp = cyclopentadienyl), in refluxing methanol or THF, to give MeClSnFe(CO)2- Cp and traces of Cl3SnFe(CO)2Cp, but, with EtFe(CO)2Cp, a mixture of the insertion product, Cl3SnFe(CO)2Cp, and Cl2Sn[Fe(CO)2Cp]2 is formed. Insertion of tin(II) chloride was not observed for MeMo(CO)3Cp and MeMn(CO)5; in these reactions, and in those between tin(II)_bromide and MeFe(CO)2Cp, EtFe(CO)2Cp and Memo(CO)3Cp, mixtures of halo—metal carbonyls and halotin—metal carbonyls result. 相似文献
106.
107.
Using Löwdin's partition method we have re-derived the D. Weinstein lower bound, E > H
11 - . By the same method, plus the assumption that the calculated first excited state energy is lower than a certain weighted average of approximate energies of all the excited states, we have derived a moderately better lower bound. 相似文献
108.
G. A. Stewart G. L. Whittle S. J. Campbell J. Zukrowski 《Hyperfine Interactions》1983,16(1-4):681-684
The intermetallic compound, YMn12, doped with 0.5at.%57Fe has been investigated using the57Fe Mössbauer resonance. The data show that the Fe impurities occupy preferentially the f-site at the expense of the i- and j-sites. Whereas the i- and j-sites are expected to carry identical local magnetic moments in the ordered state, low temperature hyperfine fields of 50.08(±0.05)T and 2.90(±0.03)T are measured for the i- and j-sites respectively. It is proposed that large transferred hyperfine fields are responsible for this disparity. 相似文献
109.