Vlcek L - Search Results

1

Decoding Oxyanion Aqueous Solvation Structure: A Potassium Nitrate Example at Saturation.

Wang HW, Vlcek L, Neuefeind JC, Page K, Irle S, Simonson JM, Stack AG. Wang HW, et al. Among authors: vlcek l. J Phys Chem B. 2018 Aug 2;122(30):7584-7589. doi: 10.1021/acs.jpcb.8b05895. Epub 2018 Jul 19. J Phys Chem B. 2018. PMID: 29991255

2

Correspondence between cluster-ion and bulk solution thermodynamic properties: on the validity of the cluster-pair-based approximation.

Vlcek L, Chialvo AA, Simonson JM. Vlcek L, et al. J Phys Chem A. 2013 Nov 7;117(44):11328-38. doi: 10.1021/jp408632e. Epub 2013 Oct 24. J Phys Chem A. 2013. PMID: 24093538

3

Precise determination of water exchanges on a mineral surface.

Stack AG, Borreguero JM, Prisk TR, Mamontov E, Wang HW, Vlcek L, Wesolowski DJ. Stack AG, et al. Among authors: vlcek l. Phys Chem Chem Phys. 2016 Oct 19;18(41):28819-28828. doi: 10.1039/c6cp05836a. Phys Chem Chem Phys. 2016. PMID: 27722503

4

Multimodality of Structural, Electrical, and Gravimetric Responses of Intercalated MXenes to Water.

Muckley ES, Naguib M, Wang HW, Vlcek L, Osti NC, Sacci RL, Sang X, Unocic RR, Xie Y, Tyagi M, Mamontov E, Page KL, Kent PRC, Nanda J, Ivanov IN. Muckley ES, et al. Among authors: vlcek l. ACS Nano. 2017 Nov 28;11(11):11118-11126. doi: 10.1021/acsnano.7b05264. Epub 2017 Oct 17. ACS Nano. 2017. PMID: 29019645

5

Structure and stability of SnO2 nanocrystals and surface-bound water species.

Wang HW, Wesolowski DJ, Proffen TE, Vlcek L, Wang W, Allard LF, Kolesnikov AI, Feygenson M, Anovitz LM, Paul RL. Wang HW, et al. Among authors: vlcek l. J Am Chem Soc. 2013 May 8;135(18):6885-95. doi: 10.1021/ja312030e. Epub 2013 Apr 30. J Am Chem Soc. 2013. PMID: 23607732

6

NO3(-) coordination in aqueous solutions by (15)N/(14)N and (18)O/(nat)O isotopic substitution: what can we learn from molecular simulation?

Chialvo AA, Vlcek L. Chialvo AA, et al. Among authors: vlcek l. J Phys Chem B. 2015 Jan 15;119(2):519-31. doi: 10.1021/jp510355u. Epub 2014 Dec 30. J Phys Chem B. 2015. PMID: 25514621

7

Ewald summation approach to potential models of aqueous electrolytes involving gaussian charges and induced dipoles: formal and simulation results.

Chialvo AA, Vlcek L. Chialvo AA, et al. Among authors: vlcek l. J Phys Chem B. 2014 Nov 26;118(47):13658-70. doi: 10.1021/jp509074p. Epub 2014 Nov 17. J Phys Chem B. 2014. PMID: 25363893

8

Thermodynamics of small alkali metal halide cluster ions: comparison of classical molecular simulations with experiment and quantum chemistry.

Vlcek L, Uhlik F, Moucka F, Nezbeda I, Chialvo AA. Vlcek L, et al. J Phys Chem A. 2015 Jan 22;119(3):488-500. doi: 10.1021/jp509401d. Epub 2015 Jan 9. J Phys Chem A. 2015. PMID: 25513841

9

Molecular dynamics simulation of ss-DNA translocation between copper nanoelectrodes incorporating electrode charge dynamics.

Payne CM, Zhao X, Vlcek L, Cummings PT. Payne CM, et al. Among authors: vlcek l. J Phys Chem B. 2008 Feb 14;112(6):1712-7. doi: 10.1021/jp077483e. Epub 2008 Jan 23. J Phys Chem B. 2008. PMID: 18211061

10

Structural properties of pure simple alcohols from ethanol, propanol, butanol, pentanol, to hexanol: comparing Monte Carlo simulations with experimental SAXS data.

Tomsic M, Jamnik A, Fritz-Popovski G, Glatter O, Vlcek L. Tomsic M, et al. Among authors: vlcek l. J Phys Chem B. 2007 Feb 22;111(7):1738-51. doi: 10.1021/jp066139z. Epub 2007 Jan 27. J Phys Chem B. 2007. PMID: 17256979

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