Výsledky vyhledávání - "Csokas, Daniel"

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The influence of cations on the dipole moments of neighboring polar molecules

Autor: Bakó, Imre, Csókás, Dániel, Mayer, István, Pothoczki, Szilvia, Pusztai, László

It is shown that the dipole moment of polar (water, methanol, formamide, acetone and acetonitrile) molecules in the neighborhood of a cation is increased primarily by polarization from the bare electrostatic charge of the cation, although the effecti

Externí odkaz: http://arxiv.org/abs/2103.16358

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Molecular aggregation in liquid water: Laplace spectra and spectral clustering of H-bonded network

Autor: Bakó, Imre, Csókás, Dániel, Pothoczki, Szilvia

Publikováno v: J. Mol. Liq. 327, 114802 (2021)

Application of the spectral clustering method based on the analyses of the Laplace matrix is an acceptable indicator of the global properties of H-bonded network. The first peak of the Laplace spectra contains six eigenvalues. These results suggest t

Externí odkaz: http://arxiv.org/abs/2009.00955

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Hydrogen bonding and percolation in propan-2-ol -- water liquid mixtures: X-ray diffraction experiments and computer simulations

Autor: Pothoczki, Szilvia, Pethes, Ildikó, Pusztai, László, Temleitner, László, Csókás, Dániel, Kohara, Shinji, Ohara, Koji, Bakó, Imre

Publikováno v: J. Mol. Liq. 329, 115592 (2021)

Synchrotron X-ray diffraction measurements have been conducted on aqueous mixtures of propan-2-ol (a.k.a. isopropanol, or 2-propanol), for alcohol contents between 10 and 90 molar %, from room temperature down to 230 K. Molecular dynamics simulations

Externí odkaz: http://arxiv.org/abs/2001.11923

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