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Items: 1 to 20 of 107

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Computational investigation of the first solvation shell structure of interfacial and bulk aqueous chloride and iodide ions.

Wick CD, Xantheas SS.

J Phys Chem B. 2009 Apr 2;113(13):4141-6. doi: 10.1021/jp806782r.

PMID:
19014185
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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.

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Rational design of ion force fields based on thermodynamic solvation properties.

Horinek D, Mamatkulov SI, Netz RR.

J Chem Phys. 2009 Mar 28;130(12):124507. doi: 10.1063/1.3081142.

PMID:
19334851
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Temperature dependence and energetics of single ions at the aqueous liquid-vapor interface.

Ou S, Patel S.

J Phys Chem B. 2013 May 30;117(21):6512-23. doi: 10.1021/jp401243m. Epub 2013 May 17.

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Ion spatial distributions at the liquid-vapor interface of aqueous potassium fluoride solutions.

Brown MA, D'Auria R, Kuo IF, Krisch MJ, Starr DE, Bluhm H, Tobias DJ, Hemminger JC.

Phys Chem Chem Phys. 2008 Aug 28;10(32):4778-84. doi: 10.1039/b807041e. Epub 2008 Jul 16.

PMID:
18688520
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Spherical monovalent ions at aqueous liquid-vapor interfaces: interfacial stability and induced interface fluctuations.

Ou S, Hu Y, Patel S, Wan H.

J Phys Chem B. 2013 Oct 3;117(39):11732-42. doi: 10.1021/jp406001b. Epub 2013 Sep 16.

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Computational study of ion distributions at the air/liquid methanol interface.

Sun X, Wick CD, Dang LX.

J Phys Chem A. 2011 Jun 16;115(23):5767-73. doi: 10.1021/jp107563e. Epub 2010 Oct 12.

PMID:
20939498
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Interaction of monovalent ions with the water liquid-vapor interface: a molecular dynamics study.

Wilson MA, Pohorille A.

J Chem Phys. 1991 Oct 15;95(8):6005-13.

PMID:
11538294
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Effects of nonadditive interactions on ion solvation at the water/vapor interface: a molecular dynamics study.

Yagasaki T, Saito S, Ohmine I.

J Phys Chem A. 2010 Dec 9;114(48):12573-84. doi: 10.1021/jp1084795. Epub 2010 Nov 15. Erratum in: J Phys Chem A. 2011 Apr 28;115(16):4114.

PMID:
21077653
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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.

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