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I. Bakó, L. Pusztai, Sz. Pothoczki: Outstanding Properties of the Hydration Shell Around β-D-Glucose: A Computational Study, ACS Omega, közlésre elfogadva, 2024 | I. Bakó, L. Pusztai, Sz. Pothoczki: Topological descriptors and Laplace spectra in simple hydrogen bonded systems, J. Mol. Liq. 363, 119860, 2022 | Imre Bakó, László Pusztai, Szilvia Pothoczki: Connecting Diffraction Experiments and Network Analysis Tools for the Study of Hydrogen-Bonded Networks, JOURNAL OF PHYSICAL CHEMISTRY B, 127 : 14 pp. 3109-3118., 10 p. (2023), 2023 | Bakó I., Pothoczki S., Pusztai L.: Connecting Diffraction Experiments and Network Analysis Tools for the Study of Hydrogen-Bonded Networks, JOURNAL OF PHYSICAL CHEMISTRY B 127: (14) pp. 3109-3118., 2023 | I. Bakó, L. Pusztai, Sz. Pothoczki: Connecting Diffraction Experiments and Network Analysis Tools for the Study of Hydrogen-Bonded Networks, JOURNAL OF PHYSICAL CHEMISTRY B, 127 : 14 pp. 3109-3118., 10 p. (2023), 2023 | I. Bakó, L. Pusztai, Sz. Pothoczki: Topological descriptors and Laplace spectra in simple hydrogen bonded systems, J. Mol. Liq. 363, 119860, 2022 | Sz. Pothoczki, I. Pethes, L. Pusztai, L. Temleitner, D. Csókás, S. Kohara, K. Ohara, I. Bakó: Hydrogen bonding and percolation in propan-2-ol -- water liquid mixtures: X-ray diffraction experiments and computer simulations, J. Mol. Liq. 329, 115592, 2021 | Sz. Pothoczki, I. Pethes, L. Pusztai, L. Temleitner, K. Ohara, I. Bakó: Properties of hydrogen bonded network in ethanol-water liquid mixtures as a function of temperature: diffraction experiments and computer simulations, J. Phys. Chem. B 125, 23, 6272–6279, 2021 | I. Bakó, D. Csókás, Sz. Pothoczki: Molecular aggregation in liquid water: Laplace spectra and spectral clustering of H-bonded network, J. Mol. Liq. 327, 114802, 2021 | I. Bakó, I. Pethes, Sz. Pothoczki, L. Pusztai: Temperature dependent network stability in simple alcohols and pure water: The evolution of Laplace spectra, J. Mol. Liq. 273, 670-675, 2019 | I. Bakó, J. Daru, Sz. Pothoczki, L. Pusztai, K. Hermansson: Effects of H-bond asymmetry on the electronic properties of liquid water – An AIMD analysis, J. Mol. Liq. 293, 111579, 2019 | Sz. Pothoczki, L. Pusztai, I. Bakó: Molecular Dynamics Simulation Studies of the Temperature-Dependent Structure and Dynamics of Isopropanol–Water Liquid Mixtures at Low Alcohol Content, J. Phys. Chem B. 123, 7599-7610, 2019 | I. Bakó, D. Csókás, Sz. Pothoczki: Molecular aggregation in liquid water: Laplace spectra and spectral clustering of H-bonded network, J. Mol. Liq. 327, 114802, 2021 | Sz. Pothoczki, I. Pethes, L. Pusztai, L. Temleitner, D. Csókás, S. Kohara, K. Ohara, I. Bakó: Hydrogen bonding and percolation in propan-2-ol -- water liquid mixtures: X-ray diffraction experiments and computer simulations, J. Mol. Liq. 329, 115592, 2021 | Sz. Pothoczki, I. Pethes, L. Pusztai, L. Temleitner, K. Ohara, I. Bakó: Properties of hydrogen bonded network in ethanol-water liquid mixtures as a function of temperature: diffraction experiments and computer simulations, J. Phys. Chem. B 125, 23, 6272–6279, 2021 | I. Bakó, I. Pethes, Sz. Pothoczki, L. Pusztai: Temperature dependent network stability in simple alcohols and pure water: The evolution of Laplace spectra, J. Mol. Liq. 273, 670-675 (2019), 2019 | I. Bakó, J. Daru, Sz. Pothoczki, L. Pusztai, K. Hermansson: Effects of H-bond asymmetry on the electronic properties of liquid water – An AIMD analysis, J. Mol. Liq. 293, 111579 (2019), 2019 | Sz. Pothoczki, L. Pusztai, I. Bakó: Molecular Dynamics Simulation Studies of the Temperature-Dependent Structure and Dynamics of Isopropanol–Water Liquid Mixtures at Low Alcohol Content, J. Phys. Chem B. 123, 7599-7610 (2019), 2019 | I. Bakó, I. Pethes, Sz. Pothoczki, L. Pusztai: Temperature dependent network stability in simple alcohols and pure water: The evolution of Laplace spectra, J. Mol. Liq. 273, 670-675, 2019 | I. Bakó, J. Daru, Sz. Pothoczki, L. Pusztai, K. Hermansson: Effects of H-bond asymmetry on the electronic properties of liquid water – An AIMD analysis, J. Mol. Liq. 293, 111579, 2019 | Sz. Pothoczki, L. Pusztai, I. Bakó: Molecular Dynamics Simulation Studies of the Temperature-Dependent Structure and Dynamics of Isopropanol–Water Liquid Mixtures at Low Alcohol Content, J. Phys. Chem B. 123, 7599-7610, 2019 | Sz. Pothoczki, I. Pethes, L. Pusztai, L. Temleitner, D. Csókás, S. Kohara, K. Ohara, I. Bakó: Hydrogen bonding and percolation in propan-2-ol -- water liquid mixtures: X-ray diffraction experiments and computer simulations, J. Mol. Liq. 329, 115592, 2021 | I. Bakó, D. Csókás, Sz. Pothoczki: Molecular aggregation in liquid water: Laplace spectra and spectral clustering of H-bonded network, J. Mol. Liq. 327, 114802, 2021 | I. Bakó, J. Daru, Sz. Pothoczki, L. Pusztai, K. Hermansson: Effects of H-bond asymmetry on the electronic properties of liquid water – An AIMD analysis, J. Mol. Liq. 293, 111579 (2019), 2019 |

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