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Reactivity Models of Hydrogen Activation by Frustrated Lewis Pairs: Synergistic Electron Transfers or Polarization by Electric Field?

Journal of the American Chemical Society, 2013-03, Vol.135 (11), p.4425-4437

2013

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Properties of Hydrogen-Bonded Networks in Ethanol–Water Liquid Mixtures as a Function of Temperature: Diffraction Experiments and Computer Simulations

The journal of physical chemistry. B, 2021-06, Vol.125 (23), p.6272-6279

2021

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Hydrogen bond network topology in liquid water and methanol: a graph theory approach

Physical chemistry chemical physics : PCCP, 2013, Vol.15 (36), p.15163-15171

2013

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Water-methanol mixtures: topology of hydrogen bonded network

Physical chemistry chemical physics : PCCP, 2008-01, Vol.10 (32), p.5004-5011

2008

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The structure of aqueous sodium hydroxide solutions: A combined solution x-ray diffraction and simulation study

The Journal of chemical physics, 2008-01, Vol.128 (4), p.044501-044501-12

2008

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How can we detect hydrogen bond local cooperativity in liquid water: A simulation study

Journal of molecular liquids, 2017-11, Vol.245, p.140-146

2017

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

Journal of molecular liquids, 2021-05, Vol.329, p.115592, Article 115592

2021

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Hydration sphere structure of architectural molecules: Polyethylene glycol and polyoxymethylene oligomers

Journal of molecular liquids, 2023-08, Vol.384, p.122172, Article 122172

2023

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Variations of the Hydrogen Bonding and Hydrogen-Bonded Network in Ethanol–Water Mixtures on Cooling

The journal of physical chemistry. B, 2018-07, Vol.122 (26), p.6790-6800

2018

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Solution Structure of NaNO3 in Water: Diffraction and Molecular Dynamics Simulation Study

The journal of physical chemistry. B, 2009-04, Vol.113 (13), p.4054-4064

2009

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Connecting Diffraction Experiments and Network Analysis Tools for the Study of Hydrogen-Bonded Networks

The journal of physical chemistry. B, 2023-04, Vol.127 (14), p.3109-3118

2023

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Systematic Study of Different Types of Interactions in α-, β- and γ-Cyclodextrin: Quantum Chemical Investigation

Molecules (Basel, Switzerland), 2024-05, Vol.29 (10), p.2205

2024

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Hydrogen bonded network properties in liquid formamide

The Journal of chemical physics, 2010-01, Vol.132 (1), p.014506-014506-7

2010

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Chloride ions as integral parts of hydrogen bonded networks in aqueous salt solutions: the appearance of solvent separated anion pairs

Physical chemistry chemical physics : PCCP, 2020-05, Vol.22 (19), p.1138-1144

2020

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Interaction of Carbon Monoxide with Au(111) Modified by Ion Bombardment: A Surface Spectroscopy Study under Elevated Pressure

Langmuir, 2010-11, Vol.26 (21), p.16312-16324

2010

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Hierarchy of the Collective Effects in Water Clusters

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-02, Vol.120 (4), p.631-638

2016

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Mechanism of Heterolytic Hydrogen Splitting by Frustrated Lewis Pairs: Comparison of Static and Dynamic Models

ACS catalysis, 2019-07, Vol.9 (7), p.6049-6057

2019

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Benchmarking Polarizable Molecular Dynamics Simulations of Aqueous Sodium Hydroxide by Diffraction Measurements

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-04, Vol.113 (16), p.4022-4027

2009

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X-ray Diffraction and DOSY NMR Characterization of Self-Assembled Supramolecular Metallocyclic Species in Solution

Journal of the American Chemical Society, 2005-08, Vol.127 (30), p.10731-10738

2005

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On Dipole Moments and Hydrogen Bond Identification in Water Clusters

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-06, Vol.120 (25), p.4408-4417

2016

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Two Faces of the Two-Phase Thermodynamic Model

Journal of chemical theory and computation, 2021-11, Vol.17 (11), p.7187-7194

2021

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Temperature dependent dynamics in water-ethanol liquid mixtures

Journal of molecular liquids, 2018-12, Vol.271, p.571-579

2018

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Decreasing temperature enhances the formation of sixfold hydrogen bonded rings in water-rich water-methanol mixtures

Scientific reports, 2017-04, Vol.7 (1), p.1073-7, Article 1073

2017

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

Journal of molecular liquids, 2021-04, Vol.327, p.114802, Article 114802

2021

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Outstanding Properties of the Hydration Shell around β‑d‑Glucose: A Computational Study

ACS omega, 2024-05, Vol.9 (18), p.20331-20337

2024

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Reactivity Models of Hydrogen Activation by Frustrated Lewis Pairs: Synergistic Electron Transfers or Polarization by Electric Field?

Properties of Hydrogen-Bonded Networks in Ethanol–Water Liquid Mixtures as a Function of Temperature: Diffraction Experiments and Computer Simulations

Hydrogen bond network topology in liquid water and methanol: a graph theory approach

Water-methanol mixtures: topology of hydrogen bonded network

The structure of aqueous sodium hydroxide solutions: A combined solution x-ray diffraction and simulation study

How can we detect hydrogen bond local cooperativity in liquid water: A simulation study

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

Hydration sphere structure of architectural molecules: Polyethylene glycol and polyoxymethylene oligomers

Variations of the Hydrogen Bonding and Hydrogen-Bonded Network in Ethanol–Water Mixtures on Cooling

Solution Structure of NaNO3 in Water: Diffraction and Molecular Dynamics Simulation Study

Connecting Diffraction Experiments and Network Analysis Tools for the Study of Hydrogen-Bonded Networks

Systematic Study of Different Types of Interactions in α-, β- and γ-Cyclodextrin: Quantum Chemical Investigation

Hydrogen bonded network properties in liquid formamide

Chloride ions as integral parts of hydrogen bonded networks in aqueous salt solutions: the appearance of solvent separated anion pairs

Interaction of Carbon Monoxide with Au(111) Modified by Ion Bombardment: A Surface Spectroscopy Study under Elevated Pressure

Hierarchy of the Collective Effects in Water Clusters

Mechanism of Heterolytic Hydrogen Splitting by Frustrated Lewis Pairs: Comparison of Static and Dynamic Models

Benchmarking Polarizable Molecular Dynamics Simulations of Aqueous Sodium Hydroxide by Diffraction Measurements

X-ray Diffraction and DOSY NMR Characterization of Self-Assembled Supramolecular Metallocyclic Species in Solution

On Dipole Moments and Hydrogen Bond Identification in Water Clusters

Two Faces of the Two-Phase Thermodynamic Model

Temperature dependent dynamics in water-ethanol liquid mixtures

Decreasing temperature enhances the formation of sixfold hydrogen bonded rings in water-rich water-methanol mixtures

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

Outstanding Properties of the Hydration Shell around β‑d‑Glucose: A Computational Study

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