474 related articles for article (PubMed ID: 22462831)
1. Ionic force field optimization based on single-ion and ion-pair solvation properties: going beyond standard mixing rules.
Fyta M; Netz RR
J Chem Phys; 2012 Mar; 136(12):124103. PubMed ID: 22462831
[TBL] [Abstract][Full Text] [Related]
2. Force fields for divalent cations based on single-ion and ion-pair properties.
Mamatkulov S; Fyta M; Netz RR
J Chem Phys; 2013 Jan; 138(2):024505. PubMed ID: 23320702
[TBL] [Abstract][Full Text] [Related]
3. Ionic force field optimization based on single-ion and ion-pair solvation properties.
Fyta M; Kalcher I; Dzubiella J; Vrbka L; Netz RR
J Chem Phys; 2010 Jan; 132(2):024911. PubMed ID: 20095713
[TBL] [Abstract][Full Text] [Related]
4. Rational design of ion force fields based on thermodynamic solvation properties.
Horinek D; Mamatkulov SI; Netz RR
J Chem Phys; 2009 Mar; 130(12):124507. PubMed ID: 19334851
[TBL] [Abstract][Full Text] [Related]
5. Kirkwood-Buff derived force field for alkali chlorides in simple point charge water.
Klasczyk B; Knecht V
J Chem Phys; 2010 Jan; 132(2):024109. PubMed ID: 20095665
[TBL] [Abstract][Full Text] [Related]
6. Computation of methodology-independent single-ion solvation properties from molecular simulations. IV. Optimized Lennard-Jones interaction parameter sets for the alkali and halide ions in water.
Reif MM; Hünenberger PH
J Chem Phys; 2011 Apr; 134(14):144104. PubMed ID: 21495739
[TBL] [Abstract][Full Text] [Related]
7. Ion solvation thermodynamics from simulation with a polarizable force field.
Grossfield A; Ren P; Ponder JW
J Am Chem Soc; 2003 Dec; 125(50):15671-82. PubMed ID: 14664617
[TBL] [Abstract][Full Text] [Related]
8. Crystal lattice properties fully determine short-range interaction parameters for alkali and halide ions.
Mao AH; Pappu RV
J Chem Phys; 2012 Aug; 137(6):064104. PubMed ID: 22897252
[TBL] [Abstract][Full Text] [Related]
9. Modeling the hydration of mono-atomic anions from the gas phase to the bulk phase: the case of the halide ions F-, Cl-, and Br-.
Trumm M; Martínez YO; Réal F; Masella M; Vallet V; Schimmelpfennig B
J Chem Phys; 2012 Jan; 136(4):044509. PubMed ID: 22299893
[TBL] [Abstract][Full Text] [Related]
10. Ion pairing in aqueous electrolyte solutions with biologically relevant anions.
Ganguly P; Schravendijk P; Hess B; van der Vegt NF
J Phys Chem B; 2011 Apr; 115(13):3734-9. PubMed ID: 21410261
[TBL] [Abstract][Full Text] [Related]
11. Ion solvation in water from molecular dynamics simulation with the ABEEM/MM force field.
Yang ZZ; Li X
J Phys Chem A; 2005 Apr; 109(16):3517-20. PubMed ID: 16839014
[TBL] [Abstract][Full Text] [Related]
12. Determination of alkali and halide monovalent ion parameters for use in explicitly solvated biomolecular simulations.
Joung IS; Cheatham TE
J Phys Chem B; 2008 Jul; 112(30):9020-41. PubMed ID: 18593145
[TBL] [Abstract][Full Text] [Related]
13. Structural and technical details of the Kirkwood-Buff integrals from the optimization of ionic force fields: focus on fluorides.
Fyta M
Eur Phys J E Soft Matter; 2012 Mar; 35(3):1-12. PubMed ID: 22434150
[TBL] [Abstract][Full Text] [Related]
14. Ion solvation and water structure in potassium halide aqueous solutions.
Soper AK; Weckström K
Biophys Chem; 2006 Dec; 124(3):180-91. PubMed ID: 16698172
[TBL] [Abstract][Full Text] [Related]
15. Ion-specific solvation water dynamics: single water versus collective water effects.
Rinne KF; Gekle S; Netz RR
J Phys Chem A; 2014 Dec; 118(50):11667-77. PubMed ID: 25474321
[TBL] [Abstract][Full Text] [Related]
16. Calix[4]pyrrole: a new ion-pair receptor as demonstrated by liquid-liquid extraction.
Wintergerst MP; Levitskaia TG; Moyer BA; Sessler JL; Delmau LH
J Am Chem Soc; 2008 Mar; 130(12):4129-39. PubMed ID: 18311976
[TBL] [Abstract][Full Text] [Related]
17. Density functional theory based molecular-dynamics study of aqueous iodide solvation.
Heuft JM; Meijer EJ
J Chem Phys; 2005 Sep; 123(9):94506. PubMed ID: 16164352
[TBL] [Abstract][Full Text] [Related]
18. Quasichemical and structural analysis of polarizable anion hydration.
Rogers DM; Beck TL
J Chem Phys; 2010 Jan; 132(1):014505. PubMed ID: 20078170
[TBL] [Abstract][Full Text] [Related]
19. Investigation of the salting out of methane from aqueous electrolyte solutions using computer simulations.
Docherty H; Galindo A; Sanz E; Vega C
J Phys Chem B; 2007 Aug; 111(30):8993-9000. PubMed ID: 17595128
[TBL] [Abstract][Full Text] [Related]
20. The short range anion-H interaction is the driving force for crystal formation of ions in water.
Alejandre J; Chapela GA; Bresme F; Hansen JP
J Chem Phys; 2009 May; 130(17):174505. PubMed ID: 19425788
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]