Variations of the Hydrogen Bonding and Hydrogen-Bonded Network in Ethanol–Water Mixtures on Cooling von Pothoczki, Szilvia, Pusztai, László, Bakó, Imre

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Connecting Diffraction Experiments and Network Analysis Tools for the Study of Hydrogen-Bonded Networks von Bakó, Imre, Pothoczki, Szilvia, Pusztai, László

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Systematic Study of Different Types of Interactions in α-, β- and γ-Cyclodextrin: Quantum Chemical Investigation von Bakó, Imre, Jicsinszky, László, Pothoczki, Szilvia

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Chloride ions as integral parts of hydrogen bonded networks in aqueous salt solutions: the appearance of solvent separated anion pairs von Pethes, Ildikó, Bakó, Imre, Pusztai, László

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Hierarchy of the Collective Effects in Water Clusters von Bakó, Imre, Mayer, István

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Molecular Dynamics Simulation Studies of the Temperature-Dependent Structure and Dynamics of Isopropanol–Water Liquid Mixtures at Low Alcohol Content von Pothoczki, Szilvia, Pusztai, László, Bakó, Imre

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Mechanism of Heterolytic Hydrogen Splitting by Frustrated Lewis Pairs: Comparison of Static and Dynamic Models von Daru, János, Bakó, Imre, Stirling, András, Pápai, Imre

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On Dipole Moments and Hydrogen Bond Identification in Water Clusters von BAKÓ, Imre, MAYER, István

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Two Faces of the Two-Phase Thermodynamic Model von Madarász, Ádám, Hamza, Andrea, Ferenc, Dávid, Bakó, Imre

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Outstanding Properties of the Hydration Shell around β‑d‑Glucose: A Computational Study von Bakó, Imre, Pusztai, László, Pothoczki, Szilvia

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Decreasing temperature enhances the formation of sixfold hydrogen bonded rings in water-rich water-methanol mixtures von Bakó, Imre, Pusztai, László, Temleitner, László

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Conceptual Problem with Calculating Electron Densities in Finite Basis Density Functional Theory von Mayer, István, Pápai, Imre, Bakó, Imre, Nagy, Ágnes

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Many-Body Energy Decomposition with Basis Set Superposition Error Corrections von Mayer, István, Bakó, Imre

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Molecular aggregation in liquid water: Laplace spectra and spectral clustering of H-bonded network von Bakó, Imre, Csókás, Dániel, Pothoczki, Szilvia

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Nuclear Quantum Effects from the Analysis of Smoothed Trajectories: Pilot Study for Water von Berta, Dénes, Ferenc, Dávid, Bakó, Imre, Madarász, Ádám

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Structural and Dynamic Heterogeneity of Capillary Wave Fronts at Aqueous Interfaces von Zhou, Tiecheng, McCue, Alex, Ghadar, Yasaman, Bakó, Imre, Clark, Aurora E

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Theoretical insights into water network of B-DNA duplex with Watson-Crick and Hoogsteen base pairing geometries von Rozza, Ahmed M., Bakó, Imre, Oláh, Julianna

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Reactivity Models of Hydrogen Activation by Frustrated Lewis Pairs: Synergistic Electron Transfers or Polarization by Electric Field? von Rokob, Tibor András, Bakó, Imre, Stirling, András, Hamza, Andrea, Pápai, Imre

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The influence of cations on the dipole moments of neighboring polar molecules von Bakó, Imre, Csókás, Dániel, Mayer, István, Pothoczki, Szilvia, Pusztai, László

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Association of frustrated phosphine-borane pairs in toluene: molecular dynamics simulations von Bakó, Imre, Stirling, András, Bálint, Szabolcs, Pápai, Imre

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