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Items: 1 to 20 of 105

1.

Varying the charge of small cations in liquid water: structural, transport, and thermodynamical properties.

Martelli F, Vuilleumier R, Simonin JP, Spezia R.

J Chem Phys. 2012 Oct 28;137(16):164501. doi: 10.1063/1.4758452.

PMID:
23126724
2.

The influence of water on the structural and transport properties of model ionic liquids.

Spohr HV, Patey GN.

J Chem Phys. 2010 Jun 21;132(23):234510. doi: 10.1063/1.3430561.

PMID:
20572724
3.
4.

Understanding the ion jelly conductivity mechanism.

Carvalho T, Augusto V, Brás AR, Lourenço NM, Afonso CA, Barreiros S, Correia NT, Vidinha P, Cabrita EJ, Dias CJ, Dionísio M, Roling B.

J Phys Chem B. 2012 Mar 8;116(9):2664-76. doi: 10.1021/jp2108768. Epub 2012 Feb 27.

PMID:
22369088
5.

Polarizable interaction potential for molecular dynamics simulations of actinoids(III) in liquid water.

Duvail M, Martelli F, Vitorge P, Spezia R.

J Chem Phys. 2011 Jul 28;135(4):044503. doi: 10.1063/1.3613699.

PMID:
21806134
6.

Ionic exclusion phase transition in neutral and weakly charged cylindrical nanopores.

Buyukdagli S, Manghi M, Palmeri J.

J Chem Phys. 2011 Feb 21;134(7):074706. doi: 10.1063/1.3526940.

PMID:
21341868
7.

Structural and dynamical properties of ionic liquids: The influence of charge location.

Spohr HV, Patey GN.

J Chem Phys. 2009 Mar 14;130(10):104506. doi: 10.1063/1.3078381.

PMID:
19292540
8.

Size dependent ion hydration, its asymmetry, and convergence to macroscopic behavior.

Rajamani S, Ghosh T, Garde S.

J Chem Phys. 2004 Mar 1;120(9):4457-66.

PMID:
15268613
9.

Structural study of the N,N'-dimethylpropyleneurea solvated lanthanoid(III) ions in solution and solid state with an analysis of the ionic radii of lanthanoid(III) ions.

Lundberg D, Persson I, Eriksson L, D'Angelo P, De Panfilis S.

Inorg Chem. 2010 May 17;49(10):4420-32. doi: 10.1021/ic100034q.

PMID:
20397652
10.

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
11.

IONIC RADIUS AND IONIC EFFICIENCY.

Loeb J.

J Gen Physiol. 1920 Jul 20;2(6):673-87.

12.

Surfactant solutions and porous substrates: spreading and imbibition.

Starov VM.

Adv Colloid Interface Sci. 2004 Nov 29;111(1-2):3-27.

PMID:
15571660
13.

The effect of protein dielectric coefficient on the ionic selectivity of a calcium channel.

Boda D, Valiskó M, Eisenberg B, Nonner W, Henderson D, Gillespie D.

J Chem Phys. 2006 Jul 21;125(3):34901.

PMID:
16863379
14.

The effects of charge transfer on the aqueous solvation of ions.

Soniat M, Rick SW.

J Chem Phys. 2012 Jul 28;137(4):044511. doi: 10.1063/1.4736851.

PMID:
22852635
16.

A novel approach for designing simple point charge models for liquid water with three interaction sites.

Glättli A, Daura X, Van Gunsteren WF.

J Comput Chem. 2003 Jul 15;24(9):1087-96.

PMID:
12759908
17.

Quasichemical and structural analysis of polarizable anion hydration.

Rogers DM, Beck TL.

J Chem Phys. 2010 Jan 7;132(1):014505. doi: 10.1063/1.3280816.

PMID:
20078170
18.
19.

Modeling the selective partitioning of cations into negatively charged nanopores in water.

Yang L, Garde S.

J Chem Phys. 2007 Feb 28;126(8):084706.

PMID:
17343468
20.

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