771 related articles for article (PubMed ID: 16853017)
1. Molecular dynamics simulations of atmospheric oxidants at the air-water interface: solvation and accommodation of OH and O3.
Vieceli J; Roeselova M; Potter N; Dang LX; Garrett BC; Tobias DJ
J Phys Chem B; 2005 Aug; 109(33):15876-92. PubMed ID: 16853017
[TBL] [Abstract][Full Text] [Related]
2. Hydroxyl radical at the air-water interface.
Roeselová M; Vieceli J; Dang LX; Garrett BC; Tobias DJ
J Am Chem Soc; 2004 Dec; 126(50):16308-9. PubMed ID: 15600317
[TBL] [Abstract][Full Text] [Related]
3. Revisiting the hexane-water interface via molecular dynamics simulations using nonadditive alkane-water potentials.
Patel SA; Brooks CL
J Chem Phys; 2006 May; 124(20):204706. PubMed ID: 16774363
[TBL] [Abstract][Full Text] [Related]
4. A nonadditive methanol force field: bulk liquid and liquid-vapor interfacial properties via molecular dynamics simulations using a fluctuating charge model.
Patel S; Brooks CL
J Chem Phys; 2005 Jan; 122(2):024508. PubMed ID: 15638599
[TBL] [Abstract][Full Text] [Related]
5. Design of surface active soluble peptide molecules at the air/water interface.
Gu C; Lustig S; Jackson C; Trout BL
J Phys Chem B; 2008 Mar; 112(10):2970-80. PubMed ID: 18271570
[TBL] [Abstract][Full Text] [Related]
6. Structure of large nitrate-water clusters at ambient temperatures: simulations with effective fragment potentials and force fields with implications for atmospheric chemistry.
Miller Y; Thomas JL; Kemp DD; Finlayson-Pitts BJ; Gordon MS; Tobias DJ; Gerber RB
J Phys Chem A; 2009 Nov; 113(46):12805-14. PubMed ID: 19817362
[TBL] [Abstract][Full Text] [Related]
7. 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]
8. Investigating hydroxide anion interfacial activity by classical and multistate empirical valence bond molecular dynamics simulations.
Wick CD; Dang LX
J Phys Chem A; 2009 Jun; 113(22):6356-64. PubMed ID: 19391589
[TBL] [Abstract][Full Text] [Related]
9. Structure, thermodynamics, and liquid-vapor equilibrium of ethanol from molecular-dynamics simulations using nonadditive interactions.
Patel S; Brooks CL
J Chem Phys; 2005 Oct; 123(16):164502. PubMed ID: 16268707
[TBL] [Abstract][Full Text] [Related]
10. 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]
11. Transport processes at alpha-quartz-water interfaces: insights from first-principles molecular dynamics simulations.
Adeagbo WA; Doltsinis NL; Klevakina K; Renner J
Chemphyschem; 2008 May; 9(7):994-1002. PubMed ID: 18404743
[TBL] [Abstract][Full Text] [Related]
12. Hydroxyl radical and hydroxide ion in liquid water: a comparative electron density functional theory study.
Vassilev P; Louwerse MJ; Baerends EJ
J Phys Chem B; 2005 Dec; 109(49):23605-10. PubMed ID: 16375337
[TBL] [Abstract][Full Text] [Related]
13. Hydrogen-bond dynamics in the air-water interface.
Liu P; Harder E; Berne BJ
J Phys Chem B; 2005 Feb; 109(7):2949-55. PubMed ID: 16851308
[TBL] [Abstract][Full Text] [Related]
14. The behavior of NaOH at the air-water interface: a computational study.
Wick CD; Dang LX
J Chem Phys; 2010 Jul; 133(2):024705. PubMed ID: 20632768
[TBL] [Abstract][Full Text] [Related]
15. On NO3--H2O interactions in aqueous solutions and at interfaces.
Dang LX; Chang TM; Roeselova M; Garrett BC; Tobias DJ
J Chem Phys; 2006 Feb; 124(6):66101. PubMed ID: 16483244
[TBL] [Abstract][Full Text] [Related]
16. Computational observation of enhanced solvation of the hydroxyl radical with increased NaCl concentration.
Wick CD; Dang LX
J Phys Chem B; 2006 May; 110(18):8917-20. PubMed ID: 16671694
[TBL] [Abstract][Full Text] [Related]
17. Surface residence and uptake of methyl chloride and methyl alcohol at the air/water interface studied by vibrational sum frequency spectroscopy and molecular dynamics.
Harper K; Minofar B; Sierra-Hernandez MR; Casillas-Ituarte NN; Roeselova M; Allen HC
J Phys Chem A; 2009 Mar; 113(10):2015-24. PubMed ID: 19195991
[TBL] [Abstract][Full Text] [Related]
18. Interaction of ClO radical with liquid water.
Du S; Francisco JS; Schenter GK; Garrett BC
J Am Chem Soc; 2009 Oct; 131(41):14778-85. PubMed ID: 19788303
[TBL] [Abstract][Full Text] [Related]
19. Ab initio molecular dynamics studies of the liquid-vapor interface of an HCl solution.
Lee HS; Tuckerman ME
J Phys Chem A; 2009 Mar; 113(10):2144-51. PubMed ID: 19195992
[TBL] [Abstract][Full Text] [Related]
20. On the structure of water at the aqueous/air interface.
Fan Y; Chen X; Yang L; Cremer PS; Gao YQ
J Phys Chem B; 2009 Aug; 113(34):11672-9. PubMed ID: 19653670
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
