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Items: 13

1.

Coexistence of Lipid Phases Stabilizes Interstitial Water in the Outer Layer of Mammalian Skin.

MacDermaid CM, Hall KW, DeVane RH, Klein ML, Fiorin G.

Biophys J. 2020 Feb 12. pii: S0006-3495(20)30121-1. doi: 10.1016/j.bpj.2020.01.044. [Epub ahead of print]

PMID:
32101711
2.

Monodisperse Polymer Melts Crystallize via Structurally Polydisperse Nanoscale Clusters: Insights from Polyethylene.

Hall KW, Sirk TW, Percec S, Klein ML, Shinoda W.

Polymers (Basel). 2020 Feb 14;12(2). pii: E447. doi: 10.3390/polym12020447.

3.

Divining the shape of nascent polymer crystal nuclei.

Hall KW, Sirk TW, Percec S, Klein ML, Shinoda W.

J Chem Phys. 2019 Oct 14;151(14):144901. doi: 10.1063/1.5123983.

PMID:
31615257
4.

Design by Immersion: A Transdisciplinary Approach to Problem-Driven Visualizations.

Hall KW, Bradley AJ, Hinrichs U, Huron S, Wood J, Collins C, Carpendale S.

IEEE Trans Vis Comput Graph. 2020 Jan;26(1):109-118. doi: 10.1109/TVCG.2019.2934790. Epub 2019 Aug 26.

PMID:
31449025
5.

A coarse-grain model for entangled polyethylene melts and polyethylene crystallization.

Hall KW, Sirk TW, Klein ML, Shinoda W.

J Chem Phys. 2019 Jun 28;150(24):244901. doi: 10.1063/1.5092229.

PMID:
31255065
6.

Characterizing key features in the formation of ice and gas hydrate systems.

Liang S, Hall KW, Laaksonen A, Zhang Z, Kusalik PG.

Philos Trans A Math Phys Eng Sci. 2019 Jun 3;377(2146):20180167. doi: 10.1098/rsta.2018.0167.

PMID:
30982452
7.

Polymer nucleation under high-driving force, long-chain conditions: Heat release and the separation of time scales.

Hall KW, Percec S, Klein ML.

J Chem Phys. 2019 Mar 21;150(11):114901. doi: 10.1063/1.5084773.

PMID:
30902014
8.

Does Local Structure Bias How a Crystal Nucleus Evolves?

Hall KW, Zhang Z, Burnham CJ, Guo GJ, Carpendale S, English NJ, Kusalik PG.

J Phys Chem Lett. 2018 Dec 20;9(24):6991-6998. doi: 10.1021/acs.jpclett.8b03115. Epub 2018 Dec 3.

PMID:
30484659
9.

Unraveling Mixed Hydrate Formation: Microscopic Insights into Early Stage Behavior.

Hall KW, Zhang Z, Kusalik PG.

J Phys Chem B. 2016 Dec 29;120(51):13218-13223. doi: 10.1021/acs.jpcb.6b11961. Epub 2016 Dec 19.

PMID:
27990805
10.

Evidence from mixed hydrate nucleation for a funnel model of crystallization.

Hall KW, Carpendale S, Kusalik PG.

Proc Natl Acad Sci U S A. 2016 Oct 25;113(43):12041-12046. Epub 2016 Oct 6.

11.

Mechanism of O((3)P) formation from a hydroxyl radical pair in aqueous solution.

Codorniu-Hernández E, Hall KW, Boese AD, Ziemianowicz D, Carpendale S, Kusalik PG.

J Chem Theory Comput. 2015 Oct 13;11(10):4740-8. doi: 10.1021/acs.jctc.5b00783. Epub 2015 Sep 4.

PMID:
26574263
12.

Algorithms for GPU-based molecular dynamics simulations of complex fluids: Applications to water, mixtures, and liquid crystals.

Kazachenko S, Giovinazzo M, Hall KW, Cann NM.

J Comput Chem. 2015 Sep 15;36(24):1787-804. doi: 10.1002/jcc.24000. Epub 2015 Jul 15.

PMID:
26174435
13.

Aqueous production of oxygen atoms from hydroxyl radicals.

Codorniu-Hernández E, Hall KW, Ziemianowicz D, Carpendale S, Kusalik PG.

Phys Chem Chem Phys. 2014 Dec 21;16(47):26094-102. doi: 10.1039/c4cp02959c. Epub 2014 Oct 31.

PMID:
25360884

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