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41.
Potter CV Thomas S Dean JL Kybett AP Kidd R James M Saxton H 《Chemical communications (Cambridge, England)》2004,(24):2781-2786
In January 2004, the Royal Society of Chemistry launched Organic & Biomolecular Chemistry (OBC) - a journal promising to provide high quality research from all aspects of synthetic, physical and biomolecular organic chemistry. The journal was set to build upon the foundations laid down by its predecessor publications (J. Chem. Soc., Perkin Trans. 1 and J. Chem. Soc., Perkin Trans. 2) as well as complement the subject coverage already published in prestigious general chemistry journals such as Chemical Communications and Chemical Society Reviews. Nearly two years on, just how is the programme developing and what can the community expect to see from the Royal Society of Chemistry (RSC)? 相似文献
42.
Multireference configuration interaction calculations are carried out for ground and excited states of dichloromethanol, Cl2CHOH, to investigate two important photofragmentation processes relevant to atmospheric chemistry. Five low-lying excited states (1(1)A", 2(1)A', 1(3)A", 2(3)A" and 1(3)A') in the energy range between 6.4 and 7.5 eV are found to be highly repulsive for C-Cl elongation, leading to ClCHOH (X2A) and Cl (X2P). Photodissociation along the C-O bond resulting in CHCl2 (X2A') and OH (X2II) has to overcome a barrier of about 0.5 eV because the low-lying excited states 1(1)A", 1(3)A' and 1(3)A" become repulsive only after the C-O bond is elongated by about 0.3 A. 相似文献
43.
The electrical conductivities of aqueous solutions of Na(2)SO(4), H(2)SO(4), and their mixtures have been measured at 373-673 K at 12-28 MPa in dilute solutions for molalities up to 10(-2) mol kg(-1). These conductivities have been fit to the conductance equation of Turq et al.(1) with a consensus mixing rule and mean spherical approximation activity coefficients. Provided the concentration is not too high, all of the data can be fitted by a solution model that includes ion association to form NaSO(4)(-), Na(2)SO(4)(0), HSO(4)(-), H(2)SO(4)(0), and NaHSO(4)(0). The adjustable parameters of this model are the dissociation constants of the SO(4)(-) species and the H(+), SO(4)(-2), and HSO(4)(-) conductances (ion mobilities) at infinite dilution. For the 673 K and 230 kg m(-3) state point with the lowest dielectric constant, epsilon = 3.5, where the Coulomb interactions are the strongest, this model does not fit the experimental data above a solution molality of 0.016. Including the species H(9)(SO(4))(5)(-) gave satisfactory fits to the conductance data at the higher concentrations. 相似文献
44.
Matinrad Niki Reuter-Oppermann Melanie 《Central European Journal of Operations Research》2022,30(1):251-302
Central European Journal of Operations Research - Emergency services worldwide face increasing cost pressure that potentially limits their existing resources. In many countries, emergency services... 相似文献
45.
Summary.
A coupled semilinear elliptic problem modelling an
irreversible, isothermal chemical reaction is introduced, and
discretised using the usual piecewise linear Galerkin finite element
approximation. An interesting feature of the problem is that a reaction order of
less than one gives rise to a "dead core" region. Initially,
one
reactant is assumed to be acting as a catalyst and is kept constant. It
is shown that error bounds previously obtained for a scheme involving
numerical integration can be improved upon by considering a quadratic regularisation
of the nonlinear term.
This technique is then applied to the full coupled problem, and optimal
and error bounds
are proved in the absence of
quadrature. For a scheme involving numerical integration,
bounds similar to those
obtained for the catalyst problem are shown to hold.
Received May 25, 1993 / Revised version received July 5, 1994 相似文献
46.
Edwards KW Ogg M Bellerive A Britton DI Hyatt ER MacFarlane DB Patel PM Spaan B Sadoff AJ Ammar R Baringer P Bean A Besson D Coppage D Copty N Davis R Hancock N Kelly M Kotov S Kravchenko I Kwak N Lam H Kubota Y Lattery M Momayezi M Nelson JK Patton S Poling R Savinov V Schrenk S Wang R Alam MS Kim IJ Ling Z Mahmood AH O'Neill JJ Severini H Sun CR Wappler F Crawford G Daubenmier CM Fulton R Fujino D Gan KK Honscheid K Kagan H Kass R Lee J Sung M White C Wolf A Zoeller MM Butler F Fu X Nemati B 《Physical review letters》1995,74(17):3331-3335
47.
Cinabro D Henderson S Liu T Saulnier M Wilson R Yamamoto H Bergfeld T Eisenstein BI Gollin G Ong B Palmer M Selen M Thaler JJ Sadoff AJ Ammar R Ball S Baringer P Bean A Besson D Coppage D Copty N Davis R Hancock N Kelly M Kwak N Lam H Kubota Y Lattery M Nelson JK Patton S Perticone D Poling R Savinov V Schrenk S Wang R Alam MS Kim IJ Nemati B O'Neill JJ Severini H Sun CR Zoeller MM Crawford G Daubenmier CM Fulton R Fujino D Gan KK Honscheid K Kagan H Kass R Lee J Malchow R Morrow F Skovpen Y 《Physical review letters》1994,72(10):1406-1410
48.
Kubota Y Lattery M Nelson JK Patton S Perticone D Poling R Savinov V Schrenk S Wang R Alam MS Kim IJ Nemati B O'Neill JJ Severini H Sun CR Zoeller MM Crawford G Daubenmier CM Fulton R Fujino D Gan KK Honscheid K Kagan H Kass R Lee J Malchow R Morrow F Skovpen Y Sung M White C Butler F Fu X Kalbfleisch G Ross WR Skubic P Snow J Wang PL Wood M Brown DN Fast J McIlwain RL Miao T Miller DH Modesitt M Payne D Shibata EI Shipsey IP Wang PN Battle M Ernst J Kwon Y Roberts S Thorndike EH Wang CH 《Physical review letters》1994,72(13):1972-1976
49.
Ammar R Ball S Baringer P Bean A Besson D Coppage D Copty N Davis R Hancock N Kelly M Kwak N Lam H Kubota Y Lattery M Nelson JK Patton S Perticone D Poling R Savinov V Schrenk S Wang R Alam MS Kim IJ Nemati B O'Neill JJ Severini H Sun CR Zoeller MM Crawford G Daubenmier CM Fulton R Fujino D Gan KK Honscheid K Kagan H Kass R Lee J Malchow R Morrow F Skovpen Y Sung M White C Butler F Fu X Kalbfleisch G Ross WR Skubic P Snow J Wang PL Wood M Brown DN Fast J McIlwain RL Miao T Miller DH Modesitt M 《Physical review D: Particles and fields》1994,49(11):5701-5704
50.
Alam MS Kim IJ Nemati B O'Neill JJ Severini H Sun CR Zoeller MM Crawford G Daubenmier CM Fulton R Fujino D Gan KK Honscheid K Kagan H Kass R Lee J Malchow R Morrow F Skovpen Y Sung M White C Butler F Fu X Kalbfleisch G Ross WR Skubic P Snow J Wang PL Wood M Brown DN Fast J McIlwain RL Miao T Miller DH Modesitt M Payne D Shibata EI Shipsey IP Wang PN Battle M Ernst J Kwon Y Roberts S Thorndike EH Wang CH Dominick J Lambrecht M Sanghera S Shelkov V Skwarnicki T Stroynowski R Volobouev I Wei G 《Physical review D: Particles and fields》1994,50(1):43-68