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1.
Cynthia J. Burrows Richard A. Sauter 《Journal of inclusion phenomena and macrocyclic chemistry》1987,5(1):117-121
New synthetic hosts have been designed incorporating two molecules of cholic acid linked by a rigid diamine. Proton NMR studies indicate that the compounds exist in a rigid conformation with the steroid hydroxyl groups intramolecularly hydrogen-bonded. Heat or addition of methanol leads to conformational isomerism due to insertion of methanol into the cavity.A preliminary report of this work was presented at the 4th International Symposium on Inclusion Phenomena, July 20–25, 1986, Lancaster, U.K. 相似文献
2.
Morgan A. Hanson 《Journal of Global Optimization》1991,1(3):287-293
The van der Waerden permanent problem was solved using mainly algebraic methods. A much simpler analytic proof is given using a new concept in optimization theory which may be of importance in the general theory of mathematical programming. 相似文献
3.
The thermal decomposition of formaldehyde was investigated behind shock waves at temperatures between 1675 and 2080 K. Quantitative concentration time profiles of formaldehyde and formyl radicals were measured by means of sensitive 174 nm VUV absorption (CH2O) and 614 nm FM spectroscopy (HCO), respectively. The rate constant of the radical forming channel (1a), CH2O + M → HCO + H + M, of the unimolecular decomposition of formaldehyde in argon was measured at temperatures from 1675 to 2080 K at an average total pressure of 1.2 bar, k1a = 5.0 × 1015 exp(‐308 kJ mol?1/RT) cm3 mol?1 s?1. The pressure dependence, the rate of the competing molecular channel (1b), CH2O + M → H2 + CO + M, and the branching fraction β = k1a/(kA1a + k1b) was characterized by a two‐channel RRKM/master equation analysis. With channel (1b) being the main channel at low pressures, the branching fraction was found to switch from channel (1b) to channel (1a) at moderate pressures of 1–50 bar. Taking advantage of the results of two preceding publications, a decomposition mechanism with six reactions is recommended, which was validated by measured formyl radical profiles and numerous literature experimental observations. The mechanism is capable of a reliable prediction of almost all formaldehyde pyrolysis literature data, including CH2O, CO, and H atom measurements at temperatures of 1200–3200 K, with mixtures of 7 ppm to 5% formaldehyde, and pressures up to 15 bar. Some evidence was found for a self‐reaction of two CH2O molecules. At high initial CH2O mole fractions the reverse of reaction (6), CH2OH + HCO ? CH2O + CH2O becomes noticeable. The rate of the forward reaction was roughly measured to be k6 = 1.5 × 1013 cm3 mol?1 s?1. © 2004 Wiley Periodicals, Inc. Int J Chem Kinet 36: 157–169 2004 相似文献
4.
Angle-resolved low-energy ion scattering is a valuable technique for examining the topmost surface layers of materials. Using this technique, information about both composition and structure can be obtained. We discuss the physical basis of this technique and present our findings for the fivefold surface of icosahedral (i-) Al–Pd–Mn. Our results clearly show that the exposed surface has a higher Al content than the bulk and can have fivefold periodicity. Information about frequently occurring interatomic distances on the surface can also be obtained by this technique. We discuss the results and compare them to recent scanning tunneling microscopy studies and to bulk structure models. 相似文献
5.
Cynthia Kolb Whitney 《Foundations of Physics》2007,37(4-5):788-812
This paper revisits the historical sequence in which some of the major developments of 20th-century physics occurred, and
explores how theories could have turned out differently, if the sequence of developments had been different. It shows how
a delay in founding special relativity theory until after (1) at least one puzzling problem in electromagnetic theory could
be acknowledged, and (2) sat least some of the experimental observations pertinent to the development of quantum mechanics
had become well known, could have resulted in a larger theory that covers both domains in a manner quite different from that
of any of the theories we use today. The revised theory dispenses with a separate postulate introducing Planck’s constant
h, identifying instead a physical mechanism that implies the constant. Some important aspects of quantum chemistry then follow.
Editor, Galilean Electrodynamics, Proceedings of the Natural Philosophy Alliance; Visiting Industry Professor, Tufts University,
retired 相似文献
6.
Weir AJ Klein SR Abrams G Adolphsen CE Akerlof C Alexander JP Alvarez M Amidei D Baden AR Ballam J Barish BC Barklow T Barnett BA Bartelt J Blockus D Bonvicini G Boyarski A Boyer J Brabson B Breakstone A Brom JM Bulos F Burchat PR Burke DL Butler F Calvino F Cence RJ Chapman J Cords D Coupal DP DeStaebler HC Dorfan DE Dorfan JM Drell PS Feldman GJ Fernandez E Field RC Ford WT Fordham C Frey R Fujino D Gan KK Gidal G Gladney L Glanzman T Gold MS Goldhaber G Green A Grosse-Wiesmann P Haggerty J 《Physical review D: Particles and fields》1990,41(5):1384-1388
7.
Wu DY Hayes K Perl ML Barklow T Boyarski A Burchat PR Burke DL Dorfan JM Feldman GJ Gladney L Hanson G Hollebeek RJ Innes WR Jaros JA Karlen D Klein SR Lankford AJ Larsen RR LeClaire BW Lockyer NS Lüth V Ong RA Richter B Riles K Yelton JM Abrams G Amidei D Baden AR Boyer J Butler F Gidal G Gold MS Goldhaber G Golding L Haggerty J Herrup D Juricic I Kadyk JA Levi ME Nelson ME Rowson PC Schellman H Schmidke WB Sheldon PD Trilling GH Wood DR Schaad T 《Physical review D: Particles and fields》1990,41(7):2339-2342
8.
9.
Klein SR Himel TM Abrams G Amidei D Baden AR Barklow T Boyarski AM Boyer J Burchat PR Burke DL Butler F Dorfan JM Feldman GJ Gidal G Gladney L Gold MS Goldhaber G Golding L Haggerty J Hanson G Hayes K Herrup D Hollebeek RJ Innes WR Jaros JA Juricic I Kadyk JA Karlen D Lankford AJ Larsen RR LeClaire BW Levi M Lockyer NS Lüth V Matteuzzi C Nelson ME Ong RA Perl ML Petersen A Richter B Riles K Rowson PC Schaad T Schellman H Schmidke WB Sheldon PD Trilling GH de la Vaissiere C Wood DR Yelton JM 《Physical review letters》1987,58(7):644-647
10.
The Xe nuclear magnetic resonance chemical shift differences that afford the discrimination between various biological environments are of current interest for biosensor applications and medical diagnostic purposes. In many such environments the Xe signal appears close to that in water. We calculate average Xe chemical shifts (relative to the free Xe atom) in solution in eleven liquids: water, isobutane, perfluoro-isobutane, n-butane, n-pentane, neopentane, perfluoroneopentane, n-hexane, n-octane, n-perfluorooctane, and perfluorooctyl bromide. The latter is a liquid used for intravenous Xe delivery. We calculate quantum mechanically the Xe shielding response in Xe-molecule van der Waals complexes, from which calculations we develop Xe (atomic site) interpolating functions that reproduce the ab initio Xe shielding response in the complex. By assuming additivity, these Xe-site shielding functions can be used to calculate the shielding for any configuration of such molecules around Xe. The averaging over configurations is done via molecular dynamics (MD). The simulations were carried out using a MD technique that one of us had developed previously for the simulation of Henry's constants of gases dissolved in liquids. It is based on separating a gaseous compartment in the MD system from the solvent using a semipermeable membrane that is permeable only to the gas molecules. We reproduce the experimental trends in the Xe chemical shifts in n-alkanes with increasing number of carbons and the large chemical shift difference between Xe in water and in perfluorooctyl bromide. We also reproduce the trend for a given solvent of decreasing Xe chemical shift with increasing temperature. We predict chemical shift differences between Xe in alkanes vs their perfluoro counterparts. 相似文献