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Items: 1 to 20 of 335

1.

Hydrated excess proton at water-hydrophobic interfaces.

Iuchi S, Chen H, Paesani F, Voth GA.

J Phys Chem B. 2009 Apr 2;113(13):4017-30. doi: 10.1021/jp805304j.

PMID:
18821788
2.

An improved multistate empirical valence bond model for aqueous proton solvation and transport.

Wu Y, Chen H, Wang F, Paesani F, Voth GA.

J Phys Chem B. 2008 Jan 17;112(2):467-82. Epub 2007 Nov 14. Erratum in: J Phys Chem B. 2008 Jun 12;112(23):7146.

PMID:
17999484
3.

Properties of hydrated excess protons near phospholipid bilayers.

Yamashita T, Voth GA.

J Phys Chem B. 2010 Jan 14;114(1):592-603. doi: 10.1021/jp908768c.

PMID:
19924872
4.

The curious case of the hydrated proton.

Knight C, Voth GA.

Acc Chem Res. 2012 Jan 17;45(1):101-9. doi: 10.1021/ar200140h. Epub 2011 Aug 22.

PMID:
21859071
5.

Structure and dynamics of concentrated hydrochloric acid solutions.

Xu J, Izvekov S, Voth GA.

J Phys Chem B. 2010 Jul 29;114(29):9555-62. doi: 10.1021/jp102516h.

PMID:
20593833
6.
7.
8.

Excess proton solvation and delocalization in a hydrophilic pocket of the proton conducting polymer membrane nafion.

Petersen MK, Wang F, Blake NP, Metiu H, Voth GA.

J Phys Chem B. 2005 Mar 10;109(9):3727-30.

PMID:
16851417
9.

Biasing the center of charge in molecular dynamics simulations with empirical valence bond models: free energetics of an excess proton in a water droplet.

Köfinger J, Dellago C.

J Phys Chem B. 2008 Feb 28;112(8):2349-56. doi: 10.1021/jp0736185. Epub 2008 Feb 5. Erratum in: J Phys Chem B. 2008 Jul 17;112(28):8425.

PMID:
18247589
10.

Amphiphilic character of the hydrated proton in methanol-water solutions.

Petersen MK, Voth GA.

J Phys Chem B. 2006 Apr 13;110(14):7085-9.

PMID:
16599467
11.

The self-consistent charge density functional tight binding method applied to liquid water and the hydrated excess proton: benchmark simulations.

Maupin CM, Aradi B, Voth GA.

J Phys Chem B. 2010 May 27;114(20):6922-31. doi: 10.1021/jp1010555.

PMID:
20426461
12.

Unusual "amphiphilic" association of hydrated protons in strong acid solution.

Wang F, Izvekov S, Voth GA.

J Am Chem Soc. 2008 Mar 12;130(10):3120-6. doi: 10.1021/ja078106i. Epub 2008 Feb 15.

PMID:
18275191
13.
14.

Kinetics of proton migration in liquid water.

Chen H, Voth GA, Agmon N.

J Phys Chem B. 2010 Jan 14;114(1):333-9. doi: 10.1021/jp908126a.

PMID:
19961199
15.
16.

Enthalpy-entropy contributions to salt and osmolyte effects on molecular-scale hydrophobic hydration and interactions.

Athawale MV, Sarupria S, Garde S.

J Phys Chem B. 2008 May 8;112(18):5661-70. doi: 10.1021/jp073485n.

PMID:
18447346
17.

A multistate empirical valence bond description of protonatable amino acids.

Maupin CM, Wong KF, Soudackov AV, Kim S, Voth GA.

J Phys Chem A. 2006 Jan 19;110(2):631-9.

PMID:
16405335
18.

A refined MS-EVB model for proton transport in aqueous environments.

Park K, Lin W, Paesani F.

J Phys Chem B. 2012 Jan 12;116(1):343-52. doi: 10.1021/jp208946p. Epub 2011 Dec 12.

PMID:
22107267
19.

Proton solvation and transport in hydrated nafion.

Feng S, Voth GA.

J Phys Chem B. 2011 May 19;115(19):5903-12. doi: 10.1021/jp2002194. Epub 2011 Apr 21. Erratum in: J Phys Chem B. 2011 Sep 8;115(35):10570.

PMID:
21510678
20.

Unusual hydrophobic interactions in acidic aqueous solutions.

Chen H, Xu J, Voth GA.

J Phys Chem B. 2009 May 21;113(20):7291-7. doi: 10.1021/jp9025909.

PMID:
19405494
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