23.

Water adsorption on hydrophilic and hydrophobic self-assembled monolayers as proxies for atmospheric surfaces. A grand canonical Monte Carlo simulation study
M. Szöri, P. Jedlovszky, M. Roeselová
Phys. Chem. Chem. Phys. 12 (2010) 4604-4616

22.

Solvation of Magnesium Dication: Molecular Dynamics Simulation and Vibrational Spectroscopic Study of Magnesium Chloride in Aqueous Solutions
K.M. Callahan, N.N. Casillas-Ituarte, M. Roeselová, H.C. Allen, D.J. Tobias
J. Phys. Chem. A 114 (2010) 5141-5148

21.

Surface organization of aqueous MgCl2 and application to atmospheric marine aerosol chemistry
N.N. Casillas-Ituarte, K.M. Callahan, C.Y. Tang, X. Chen, M. Roeselová, D.J. Tobias, H.C. Allen
Proc. Natl. Acad. Sci. 107 (2010) 6616-6621

20.

Microscopic Wetting of Mixed Self-assembled Monolayers: A Molecular Dynamics Study.
M. Szöri, D.J. Tobias, M. Roeselová
J. Phys. Chem. B 113 (2009) 4161-4169

19.

Molecular Dynamics Study of Ice-Vapor Interactions via the Quasi-Liquid Layer.
S. Neshyba, E. Nugent, M. Roeselová, P. Jungwirth
J. Phys. Chem. C 113 (2009) 4597-4604

18.

Surface Residence and Uptake of Methyl Chloride and Methyl Alcohol at the Air/Water Interface Studied by Vibrational Sum Frequency Spectroscopy and Molecular Dynamics.
K. Harper, B. Minofar, M. R. Sierra-Hernandez, N. N. Casillas-Ituarte, M. Roeselova, H.C. Allen
J. Phys. Chem. A 113 (2009) 2015-2024

17.

Experimental and Theoretical Characterization of Adsorbed Water on Self-Assembled Monolayers: Understanding the Interaction of Water with Atmospherically Relevant Surfaces.
S.G. Moussa, T.M. McIntire, M. Szöri, M. Roeselová, D.J. Tobias, R.L. Grimm, J.C. Hemminger, B.J. Finlayson-Pitts J. Phys. Chem. A 113 (2009) 2060-2069

16.

Enhanced surface photochemistry in chloride-nitrate ion mixtures.
L.M. Wingen, A.C. Moskun, S.N. Johnson, J.L. Thomas, M. Roeselova, D.J. Tobias, M.T. Kleinman, B.J. Finlayson-Pitts Phys. Chem. Chem. Phys. 10 (2008) 5668-5677

15.

Molecular Dynamics Simulations of the Solution-Air Interface of Aqueous Sodium Nitrate.
J. L. Thomas, M. Roeselova, L. X. Dang, D. J. Tobias J. Phys. Chem. A 111 (2007) 3091-3098

14.

On NO₃^- - H₂O interactions in aqueous solutions and at interfaces.
L. X. Dang, T. M. Chang, M. Roeselova, B. C. Garrett, D. J. Tobias J. Chem. Phys. 124 (2006) 066101
[pdf]

13.

Molecular dynamics simulations of atmospheric oxidants at the air-water interface: Solvation and accommodation of OH and O₃.
J. Vieceli, M. Roeselová, N. Potter, L. X. Dang, B. C. Garrett, D. J. Tobias J. Phys. Chem. B 109 (2005) 15876-15892
[pdf]

12.

Hydroxyl radical at the air/water interface.
M. Roeselová, J. Vieceli, L. X. Dang, B. C. Garrett, D. J. Tobias J. Am. Chem. Soc. 126 (2004) 16308-16309
paper [pdf] , Supporting Information

11.

Formation of molecular bromine from the reaction of ozone with deliquesced NaBr aerosol: Evidence for interface chemistry.
S. W. Hunt, M. Roeselová, W. Wang, L. M. Wingen, E. M. Knipping, D. J. Tobias, D. Dabdub, B. J. Finlayson-Pitts J. Phys. Chem. A 108 (2004) 11559-11572
[pdf]

10.

Accommodation coefficients for water vapor at the air/water interface.
J. Vieceli, M. Roeselova, D. J. Tobias Chem. Phys. Lett. 393 (2004) 249-255
[pdf]

9.

Impact, trapping, and accommodation of hydroxyl radical and ozone at aqueous salt aerosol surfaces: A molecular dynamics study.
M. Roeselová, D. J. Tobias, R. B. Gerber, P. Jungwirth, J. Phys. Chem. B 107 (2003) 12690-12699
[Abstract] [GZipped PostScript] [pdf]

8.

Quantum dynamics and spectroscopy of electron photodetachment in Cl^-...H₂O and Cl^-...D₂O complexes.
M. Roeselová, M. Mucha, B. Schmidt, P. Jungwirth, J. Phys. Chem. A 106 (2002) 12229-12241
[Abstract] GZipped PostScripts: [Paper text] [Color figs] [B&W figs]

7.

Preference of cluster isomers as a result of quantum delocalization: Potential energy surfaces and intermolecular vibrational states of Ne...HBr, Ne...HI and HI(Ar)n (n=1-6).
P. Slavicek, M. Roeselová, P. Jungwirth, B. Schmidt, J. Chem. Phys. 114 (2001) 1539-1548
[Abstract] [GZipped PostScript]

6.

Ultrafast dynamics of chlorine-water and bromine-water radical complexes following electron photodetachment in their anionic precursors.
M. Roeselová, U. Kaldor, P. Jungwirth, J. Phys. Chem. A 104 (2000) 6523-6531
[Abstract] [GZipped PostScript]

5.

Optimal coordinates for separable approximations in quantum dynamics of polyatomic systems: Coordinate choice criteria and error estimates.
P. Jungwirth, M. Roeselová, R. B. Gerber, J. Chem. Phys. 110 (1999) 9833-9841
[Abstract] [GZipped PostScript]

4.

Relaxation of chlorine anions solvated in small water clusters upon electron photodetachment: The three lowest potential energy surfaces of the neutral Cl...H2O complex.
M. Roeselová, G. Jacoby, U. Kaldor, P. Jungwirth, Chem. Phys. Lett. 293 (1998) 309-316
[Abstract]

3.

Ab initio studies of oxidation of methane with oxo-metal cations.
D. Nachtigallová, M. Roeselová, R. Zahradník, Chem. Phys. Lett. 270(1997) 357-362

2.

The C4H4.+ potential energy surface. 3. The reaction of acetylene with its radical cation.
V. Hrouda, M. Roeselová, T. Bally, J. Phys. Chem. 101 (1997) 3925-3935

1.

Cyclobutadiene radical cation. An ab initio study of the Jahn-Teller surface.
M. Roeselová, T. Bally, P. Jungwirth, P. Čársky, Chem. Phys. Lett. 234 (1995) 395-404