Bedrov D - Search Results

1

Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force Fields.

Bedrov D, Piquemal JP, Borodin O, MacKerell AD Jr, Roux B, Schröder C. Bedrov D, et al. Chem Rev. 2019 Jul 10;119(13):7940-7995. doi: 10.1021/acs.chemrev.8b00763. Epub 2019 May 29. Chem Rev. 2019. PMID: 31141351 Free PMC article. Review.

2

Molecular dynamics simulation study of hydrogen bonding in aqueous poly(ethylene oxide) solutions.

Smith GD, Bedrov D, Borodin O. Smith GD, et al. Among authors: bedrov d. Phys Rev Lett. 2000 Dec 25;85(26 Pt 1):5583-6. doi: 10.1103/PhysRevLett.85.5583. Phys Rev Lett. 2000. PMID: 11136052

3

A revised quantum chemistry-based potential for poly(ethylene oxide) and its oligomers in aqueous solution.

Smith GD, Borodin O, Bedrov D. Smith GD, et al. Among authors: bedrov d. J Comput Chem. 2002 Nov 30;23(15):1480-8. doi: 10.1002/jcc.10166. J Comput Chem. 2002. PMID: 12370950

4

Structural relaxation and dynamic heterogeneity in a polymer melt at attractive surfaces.

Smith GD, Bedrov D, Borodin O. Smith GD, et al. Among authors: bedrov d. Phys Rev Lett. 2003 Jun 6;90(22):226103. doi: 10.1103/PhysRevLett.90.226103. Epub 2003 Jun 5. Phys Rev Lett. 2003. PMID: 12857324

5

Comment on "On the accuracy of force fields for predicting the physical properties of dimethylnitramine".

Bedrov D, Borodin O, Hanson B, Smith GD. Bedrov D, et al. J Phys Chem B. 2007 Feb 22;111(7):1900-2. doi: 10.1021/jp066662d. Epub 2007 Jan 30. J Phys Chem B. 2007. PMID: 17261062 No abstract available.

6

Polarizable and nonpolarizable force fields for alkyl nitrates.

Borodin O, Smith GD, Sewell TD, Bedrov D. Borodin O, et al. Among authors: bedrov d. J Phys Chem B. 2008 Jan 24;112(3):734-42. doi: 10.1021/jp076149f. Epub 2007 Dec 18. J Phys Chem B. 2008. PMID: 18085767

7

A molecular dynamics simulation study of the pressure-volume-temperature behavior of polymers under high pressure.

Hooper JB, Bedrov D, Smith GD, Hanson B, Borodin O, Dattelbaum DM, Kober EM. Hooper JB, et al. Among authors: bedrov d. J Chem Phys. 2009 Apr 14;130(14):144904. doi: 10.1063/1.3077868. J Chem Phys. 2009. PMID: 19368468

8

Shock-induced transformations in crystalline RDX: a uniaxial constant-stress Hugoniostat molecular dynamics simulation study.

Bedrov D, Hooper JB, Smith GD, Sewell TD. Bedrov D, et al. J Chem Phys. 2009 Jul 21;131(3):034712. doi: 10.1063/1.3177350. J Chem Phys. 2009. PMID: 19624226

9

A molecular dynamics simulation study of crystalline 1,3,5-triamino-2,4,6-trinitrobenzene as a function of pressure and temperature.

Bedrov D, Borodin O, Smith GD, Sewell TD, Dattelbaum DM, Stevens LL. Bedrov D, et al. J Chem Phys. 2009 Dec 14;131(22):224703. doi: 10.1063/1.3264972. J Chem Phys. 2009. PMID: 20001072

10

Influence of polarization on structural, thermodynamic, and dynamic properties of ionic liquids obtained from molecular dynamics simulations.

Bedrov D, Borodin O, Li Z, Smith GD. Bedrov D, et al. J Phys Chem B. 2010 Apr 22;114(15):4984-97. doi: 10.1021/jp911670f. J Phys Chem B. 2010. PMID: 20337454

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