Schwegler E - Search Results

1

Behavior of P85 and P188 Poloxamer Molecules: Computer Simulations Using United-Atom Force-Field.

Goliaei A, Lau EY, Adhikari U, Schwegler E, Berkowitz ML. Goliaei A, et al. Among authors: schwegler e. J Phys Chem B. 2016 Aug 25;120(33):8631-41. doi: 10.1021/acs.jpcb.6b03030. Epub 2016 Jun 13. J Phys Chem B. 2016. PMID: 27232763

2

A first-principles molecular dynamics study of calcium in water.

Lightstone FC, Schwegler E, Allesch M, Gygi F, Galli G. Lightstone FC, et al. Among authors: schwegler e. Chemphyschem. 2005 Sep 5;6(9):1745-9. doi: 10.1002/cphc.200500053. Chemphyschem. 2005. PMID: 16013079 No abstract available.

3

Electronic effects in the IR spectrum of water under confinement.

Donadio D, Cicero G, Schwegler E, Sharma M, Galli G. Donadio D, et al. Among authors: schwegler e. J Phys Chem B. 2009 Apr 2;113(13):4170-5. doi: 10.1021/jp807709z. J Phys Chem B. 2009. PMID: 19231886

4

First-principles study of the infrared spectra of the ice Ih (0001) surface.

Pham TA, Huang P, Schwegler E, Galli G. Pham TA, et al. Among authors: schwegler e. J Phys Chem A. 2012 Sep 20;116(37):9255-60. doi: 10.1021/jp304249k. Epub 2012 Sep 11. J Phys Chem A. 2012. PMID: 22913799

5

Probing the Structure of Salt Water under Confinement with First-Principles Molecular Dynamics and Theoretical X-ray Absorption Spectroscopy.

Kulik HJ, Schwegler E, Galli G. Kulik HJ, et al. Among authors: schwegler e. J Phys Chem Lett. 2012 Sep 20;3(18):2653-8. doi: 10.1021/jz300932p. Epub 2012 Sep 7. J Phys Chem Lett. 2012. PMID: 26295887

6

Quantitative Assessment of Electrostatic Embedding in Density Functional Theory Calculations of Biomolecular Systems.

Fattebert JL, Law RJ, Bennion B, Lau EY, Schwegler E, Lightstone FC. Fattebert JL, et al. Among authors: schwegler e. J Chem Theory Comput. 2009 Sep 8;5(9):2257-64. doi: 10.1021/ct900209y. J Chem Theory Comput. 2009. PMID: 26616612

7

Shock Wave-Induced Damage of a Protein by Void Collapse.

Lau EY, Berkowitz ML, Schwegler E. Lau EY, et al. Among authors: schwegler e. Biophys J. 2016 Jan 5;110(1):147-56. doi: 10.1016/j.bpj.2015.11.030. Biophys J. 2016. PMID: 26745418 Free PMC article.

8

Structure and dynamics of aqueous solutions from PBE-based first-principles molecular dynamics simulations.

Pham TA, Ogitsu T, Lau EY, Schwegler E. Pham TA, et al. Among authors: schwegler e. J Chem Phys. 2016 Oct 21;145(15):154501. doi: 10.1063/1.4964865. J Chem Phys. 2016. PMID: 27782470

9

Ion Solvation and Transport in Narrow Carbon Nanotubes: Effects of Polarizability, Cation-π Interaction, and Confinement.

Aydin F, Moradzadeh A, Bilodeau CL, Lau EY, Schwegler E, Aluru NR, Pham TA. Aydin F, et al. Among authors: schwegler e. J Chem Theory Comput. 2021 Mar 9;17(3):1596-1605. doi: 10.1021/acs.jctc.0c00827. Epub 2021 Feb 24. J Chem Theory Comput. 2021. PMID: 33625224

10

Multiframe Imaging of Micron and Nanoscale Bubble Dynamics.

Egan GC, Lau EY, Schwegler E. Egan GC, et al. Among authors: schwegler e. Nano Lett. 2022 Feb 9;22(3):1053-1058. doi: 10.1021/acs.nanolett.1c04101. Epub 2022 Jan 19. Nano Lett. 2022. PMID: 35044188

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