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Items: 1 to 20 of 127

1.

Dynamics and energetics of hydrophobically confined water.

Bauer BA, Ou S, Patel S, Siva K.

Phys Rev E Stat Nonlin Soft Matter Phys. 2012 May;85(5 Pt 1):051506. Epub 2012 May 23.

2.

Role of electrostatics in modulating hydrophobic interactions and barriers to hydrophobic assembly.

Bauer BA, Patel S.

J Phys Chem B. 2010 Jun 24;114(24):8107-17. doi: 10.1021/jp101995d.

3.
5.

Clusters of classical water models.

Kiss PT, Baranyai A.

J Chem Phys. 2009 Nov 28;131(20):204310. doi: 10.1063/1.3266838.

PMID:
19947683
6.
7.

Electrostatic contribution from solvent in modulating single-walled carbon nanotube association.

Ou SC, Patel S.

J Chem Phys. 2014 Sep 21;141(11):114906. doi: 10.1063/1.4892566.

8.

Correlations in liquid water for the TIP3P-Ewald, TIP4P-2005, TIP5P-Ewald, and SWM4-NDP models.

Huggins DJ.

J Chem Phys. 2012 Feb 14;136(6):064518. doi: 10.1063/1.3683447.

9.
10.

Phase-transfer energetics of small-molecule alcohols across the water-hexane interface: molecular dynamics simulations using charge equilibration models.

Bauer BA, Zhong Y, Meninger DJ, Davis JE, Patel S.

J Mol Graph Model. 2011 Apr;29(6):876-87. doi: 10.1016/j.jmgm.2010.09.005. Epub 2010 Oct 1.

11.
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13.

Electrostatic polarization effects and hydrophobic hydration in ethanol-water solutions from molecular dynamics simulations.

Zhong Y, Patel S.

J Phys Chem B. 2009 Jan 22;113(3):767-78. doi: 10.1021/jp807053p.

PMID:
19115819
14.

Molecular dynamics simulations of vapor/liquid coexistence using the nonpolarizable water models.

Sakamaki R, Sum AK, Narumi T, Yasuoka K.

J Chem Phys. 2011 Mar 28;134(12):124708. doi: 10.1063/1.3574038.

PMID:
21456696
15.

Comparison of select polarizable and non-polarizable water models in predicting solvation dynamics of water confined between MgO slabs.

Kamath G, Deshmukh SA, Sankaranarayanan SK.

J Phys Condens Matter. 2013 Jul 31;25(30):305003. doi: 10.1088/0953-8984/25/30/305003. Epub 2013 Jul 3.

PMID:
23819970
17.

Interfacial thermodynamics of water and six other liquid solvents.

Pascal TA, Goddard WA 3rd.

J Phys Chem B. 2014 Jun 5;118(22):5943-56. doi: 10.1021/jp410861h. Epub 2014 May 28.

PMID:
24820859
18.
19.

Simulations of water transport through carbon nanotubes: how different water models influence the conduction rate.

Liu L, Patey GN.

J Chem Phys. 2014 Nov 14;141(18):18C518. doi: 10.1063/1.4896689.

PMID:
25399183
20.

Driving force for hydrophobic interaction at different length scales.

Zangi R.

J Phys Chem B. 2011 Mar 17;115(10):2303-11. doi: 10.1021/jp1090284. Epub 2011 Feb 18.

PMID:
21332173

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