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Showing 1 to 12 of 146 entries
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Localized shear generates three-dimensional transport.

Chaos (Woodbury, N.Y.)

Smith LD, Rudman M, Lester DR, Metcalfe G.
PMID: 28456165
Chaos. 2017 Apr;27(4):043102. doi: 10.1063/1.4979666.

Understanding the mechanisms that control three-dimensional (3D) fluid transport is central to many processes, including mixing, chemical reaction, and biological activity. Here a novel mechanism for 3D transport is uncovered where fluid particles are kicked between streamlines near a...

Mercury distribution in the gulf stream.

Science (New York, N.Y.)

Mukherji P, Kester DR.
PMID: 17816741
Science. 1979 Apr 06;204(4388):64-6. doi: 10.1126/science.204.4388.64.

Measurements of reactive mercury in ocean water in the Gulf Stream at depths from 250 to 4460 meters revealed lower and more consistent concentrations than have been reported in the western Atlantic. The mean and standard deviation of 24...

Statistical mechanics of the two-dimensional hydrogen-bonding self-avoiding walk including solvent effects.

Physical review. E, Statistical, nonlinear, and soft matter physics

Foster DP, Pinettes C.
PMID: 18351995
Phys Rev E Stat Nonlin Soft Matter Phys. 2008 Feb;77(2):021115. doi: 10.1103/PhysRevE.77.021115. Epub 2008 Feb 15.

A two-dimensional square-lattice model for the formation of secondary structures in proteins, the hydrogen-bonding model, is extended to include the effects of solvent quality. This is achieved by allowing configuration-dependent nearest-neighbor interactions. The phase diagram is presented and found...

High-efficiency liquid-crystal optical phased-array beam steering.

Optics letters

Resler DP, Hobbs DS, Sharp RC, Friedman LJ, Dorschner TA.
PMID: 19876126
Opt Lett. 1996 May 01;21(9):689-91. doi: 10.1364/ol.21.000689.

Efficient, electrically tunable, agile, inertialess, near-diffraction-limited one-dimensional optical beam steering is demonstrated at the infrared wavelength of 10.6 microm with a liquid-crystal phased array.

Unimolecular isomerization of CH2FCD2Cl via the interchange of Cl and F atoms: assignment of the threshold energy to the 1,2-dyotropic rearrangement.

The journal of physical chemistry. A

Tucker MK, Rossabi SM, McClintock CE, Heard GL, Setser DW, Holmes BE.
PMID: 23837645
J Phys Chem A. 2013 Aug 08;117(31):6717-23. doi: 10.1021/jp4032767. Epub 2013 Jul 26.

The room-temperature gas-phase recombination of CH2F and CD2Cl radicals was used to prepare CH2FCD2Cl molecules with 91 kcal mol(-1) of vibrational energy. Three unimolecular processes are in competition with collisional deactivation of CH2FCD2Cl; HCl and DF elimination to give...

Nonadherence to medications.

JAMA

Schonfeld T, Hester DM.
PMID: 24104378
JAMA. 2013 Oct 09;310(14):1504-5. doi: 10.1001/jama.2013.277296.

No abstract available.

Experimental and Computational Studies of Unimolecular 1,1-HX (X = F, Cl) Elimination Reactions of C.

The journal of physical chemistry. A

Gillespie BR, Patel CA, Rothrock MM, Heard GL, Setser DW, Holmes BE.
PMID: 30841697
J Phys Chem A. 2019 Apr 04;123(13):2621-2633. doi: 10.1021/acs.jpca.9b00779. Epub 2019 Mar 20.

The gas-phase unimolecular reactions of C

Analysis of the Five Unimolecular Reaction Pathways of CD.

The journal of physical chemistry. A

Brown TM, Gillespie BR, Smith CA, Nestler MJ, Heard GL, Setser DW, Holmes BE.
PMID: 30261723
J Phys Chem A. 2018 Nov 01;122(43):8446-8457. doi: 10.1021/acs.jpca.8b06680. Epub 2018 Oct 18.

The five unimolecular HX and DX (X = F, Cl) elimination pathways of CD

Detection of unstable periodic orbits in mineralising geological systems.

Chaos (Woodbury, N.Y.)

Oberst S, Niven RK, Lester DR, Ord A, Hobbs B, Hoffmann N.
PMID: 30180652
Chaos. 2018 Aug;28(8):085711. doi: 10.1063/1.5024134.

Worldwide, mineral exploration is suffering from rising capital costs, due to the depletion of readily recoverable reserves and the need to discover and assess more inaccessible or geologically complex deposits. For gold exploration, this problem is particularly acute. We...

Coupled continuous-time random walks for fluid stretching in two-dimensional heterogeneous media.

Physical review. E

Dentz M, Lester DR, Le Borgne T, de Barros FP.
PMID: 28085355
Phys Rev E. 2016 Dec;94(6):061102. doi: 10.1103/PhysRevE.94.061102. Epub 2016 Dec 27.

We study the relation between flow structure and fluid deformation in steady flows through two-dimensional heterogeneous media, which are characterized by a broad spectrum of stretching behaviors, ranging from sub- to superlinear. We analyze these behaviors from first principles,...

Exploring the Reactivity of 2-Trichloromethylbenzoxazoles for Access to Substituted Benzoxazoles.

The Journal of organic chemistry

Lester RP, Bham T, Bousfield TW, Lewis W, Camp JE.
PMID: 27978741
J Org Chem. 2016 Dec 16;81(24):12472-12477. doi: 10.1021/acs.joc.6b02315. Epub 2016 Dec 06.

The reactivity of 2-trichloromethylbenzoxazoles toward various nucleophiles, under metal-free or iron-catalyzed conditions, for the synthesis of substituted benzoxazoles is described. These methods allow for selective substitution at either the 2- or 2'-position of the benzoxazoles using the same starting...

Application of the extreme scaling computing pattern on multiscale fusion plasma modelling.

Philosophical transactions. Series A, Mathematical, physical, and engineering sciences

Luk OO, Hoenen O, Perks O, Brabazon K, Piontek T, Kopta P, Bosak B, Bottino A, Scott BD, Coster DP.
PMID: 30967036
Philos Trans A Math Phys Eng Sci. 2019 Apr 08;377(2142):20180152. doi: 10.1098/rsta.2018.0152.

The extreme scaling pattern of the ComPat project is applied to a multi-scale workflow relevant to the magnetically confined fusion problem. This workflow combines transport, turbulence and equilibrium codes (together with additional auxiliaries such as initial conditions and numerical...

Showing 1 to 12 of 146 entries