697 related articles for article (PubMed ID: 20078170)
1. 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]
2. Polarization and charge transfer in the hydration of chloride ions.
Zhao Z; Rogers DM; Beck TL
J Chem Phys; 2010 Jan; 132(1):014502. PubMed ID: 20078167
[TBL] [Abstract][Full Text] [Related]
3. Modeling molecular and ionic absolute solvation free energies with quasichemical theory bounds.
Rogers DM; Beck TL
J Chem Phys; 2008 Oct; 129(13):134505. PubMed ID: 19045103
[TBL] [Abstract][Full Text] [Related]
4. Structure and dynamics of the hydration shells of the Zn(2+) ion from ab initio molecular dynamics and combined ab initio and classical molecular dynamics simulations.
Cauët E; Bogatko S; Weare JH; Fulton JL; Schenter GK; Bylaska EJ
J Chem Phys; 2010 May; 132(19):194502. PubMed ID: 20499974
[TBL] [Abstract][Full Text] [Related]
5. 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]
6. Electrostatic polarization effects and hydrophobic hydration in ethanol-water solutions from molecular dynamics simulations.
Zhong Y; Patel S
J Phys Chem B; 2009 Jan; 113(3):767-78. PubMed ID: 19115819
[TBL] [Abstract][Full Text] [Related]
7. Length scales and interfacial potentials in ion hydration.
Shi Y; Beck TL
J Chem Phys; 2013 Jul; 139(4):044504. PubMed ID: 23901990
[TBL] [Abstract][Full Text] [Related]
8. 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; 113(13):4141-6. PubMed ID: 19014185
[TBL] [Abstract][Full Text] [Related]
9. An analysis of molecular packing and chemical association in liquid water using quasichemical theory.
Paliwal A; Asthagiri D; Pratt LR; Ashbaugh HS; Paulaitis ME
J Chem Phys; 2006 Jun; 124(22):224502. PubMed ID: 16784293
[TBL] [Abstract][Full Text] [Related]
10. Water coordination structures and the excess free energy of the liquid.
Merchant S; Shah JK; Asthagiri D
J Chem Phys; 2011 Mar; 134(12):124514. PubMed ID: 21456683
[TBL] [Abstract][Full Text] [Related]
11. 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]
12. Local order, energy, and mobility of water molecules in the hydration shell of small peptides.
Agarwal M; Kushwaha HR; Chakravarty C
J Phys Chem B; 2010 Jan; 114(1):651-9. PubMed ID: 19863091
[TBL] [Abstract][Full Text] [Related]
13. 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; 114(48):12573-84. PubMed ID: 21077653
[TBL] [Abstract][Full Text] [Related]
14. Structural properties of hydration shell around various conformations of simple polypeptides.
Czapiewski D; Zielkiewicz J
J Phys Chem B; 2010 Apr; 114(13):4536-50. PubMed ID: 20232827
[TBL] [Abstract][Full Text] [Related]
15. Relative complexation energies for Li(+) ion in solution: molecular level solvation versus polarizable continuum model study.
Eilmes A; Kubisiak P
J Phys Chem A; 2010 Jan; 114(2):973-9. PubMed ID: 20030307
[TBL] [Abstract][Full Text] [Related]
16. Enhancing the interactions between neutral molecular tweezers and anions.
Hermida-Ramón JM; Mandado M; Sánchez-Lozano M; Estévez CM
Phys Chem Chem Phys; 2010 Jan; 12(1):164-9. PubMed ID: 20024456
[TBL] [Abstract][Full Text] [Related]
17. Free energy of solvation from molecular dynamics simulation applying Voronoi-Delaunay triangulation to the cavity creation.
Goncalves PF; Stassen H
J Chem Phys; 2005 Dec; 123(21):214109. PubMed ID: 16356041
[TBL] [Abstract][Full Text] [Related]
18. Hydration free energies of monovalent ions in transferable intermolecular potential four point fluctuating charge water: an assessment of simulation methodology and force field performance and transferability.
Warren GL; Patel S
J Chem Phys; 2007 Aug; 127(6):064509. PubMed ID: 17705614
[TBL] [Abstract][Full Text] [Related]
19. Calculation of the free energy of polarization: quantifying the effect of explicitly treating electronic polarization on the transferability of force-field parameters.
Geerke DP; van Gunsteren WF
J Phys Chem B; 2007 Jun; 111(23):6425-36. PubMed ID: 17508737
[TBL] [Abstract][Full Text] [Related]
20. Hofmeister anionic effects on hydration electric fields around water and peptide.
Kim H; Lee H; Lee G; Kim H; Cho M
J Chem Phys; 2012 Mar; 136(12):124501. PubMed ID: 22462868
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]