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On the X‑ray Scattering Pre-peak of Linear Mono-ols and the Related Microstructure from Computer Simulations

The journal of physical chemistry. B, 2020-09, Vol.124 (38), p.8358-8371

2020

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Camel back shaped Kirkwood–Buff integrals

The Journal of chemical physics, 2022-03, Vol.156 (12), p.124503-124503

2022

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Role of Charge Ordering in the Dynamics of Cluster Formation in Associated Liquids

The journal of physical chemistry. B, 2023-06, Vol.127 (25), p.5645-5654

2023

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Lifetime distribution of clusters in binary mixtures involving hydrogen bonding liquids

Scientific reports, 2022-06, Vol.12 (1), p.9120-9120, Article 9120

2022

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Structure and dynamics of liquid linear and cyclic alkanes: A molecular dynamics study

Fluid phase equilibria, 2021-12, Vol.550, p.113237, Article 113237

2021

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The influence of charge ordering in the microscopic structure of monohydroxy alcohols

Journal of physics. Condensed matter, 2024-04, Vol.36 (26), p.265102

2024

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How SGLT2 inhibitors interact with metformin? A molecular dynamics study

Molecular simulation, 2023-06, Vol.49 (9), p.867-876

2023

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Thermodynamic, structural and dynamic properties of selected non-associative neat liquids

Journal of physics. Condensed matter, 2020-09, Vol.32 (40), p.405101

2020

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Why Should Metformin Not Be Given in Advanced Kidney Disease? Potential Leads from Computer Simulations

ACS omega, 2021-06, Vol.6 (23), p.15382-15391

2021

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The influence of binary mixtures' structuring on the calculation of Kirkwood-Buff integrals: A molecular dynamics study

Journal of molecular liquids, 2021-02, Vol.324, p.114773, Article 114773

2021

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Dynamics of urea-water mixtures studied by molecular dynamics simulation

Journal of molecular liquids, 2020-02, Vol.300, p.112268, Article 112268

2020

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The structuring in mixtures with acetone as the common solvent

Physics and chemistry of liquids, 2020-03, Vol.58 (2), p.184-201

2020

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Evolution of the micro-structure of aqueous alcohol mixtures with cooling: A computer simulation study

Journal of molecular liquids, 2017-12, Vol.248 (21-22), p.602-609

2017

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A simple two dimensional model of methanol

Journal of molecular liquids, 2018-07, Vol.262, p.46-57

2018

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Structure and dynamics in aqueous mixtures of glycerol: insights from molecular dynamics simulations

Soft matter, 2024

2024

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Reply to the 'Comment on "Universal features in the lifetime distribution of clusters in hydrogen-bonding liquids"' by J. Grelska, Phys. Chem. Chem. Phys. , 2024, 26 , https://doi.org/10.1039/D3CP05269A

Physical chemistry chemical physics : PCCP, 2024-02, Vol.26 (6), p.5717-5719

2024

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On the dual behaviour of water in octanol-rich aqueous n -octanol mixtures: an X-ray scattering and computer simulation study

Physical chemistry chemical physics : PCCP, 2024-01, Vol.26 (5), p.4099-4110

2024

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Comparative analysis of ethanol dynamics in aqueous and non-aqueous solutions

Physical chemistry chemical physics : PCCP, 2020-10, Vol.22 (41), p.23856-23868

2020

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Micro-heterogeneity versus clustering in binary mixtures of ethanol with water or alkanes

Physical chemistry chemical physics : PCCP, 2016-08, Vol.18 (34), p.23971-23979

2016

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Universal features in the lifetime distribution of clusters in hydrogen-bonding liquids

Physical chemistry chemical physics : PCCP, 2021-09, Vol.23 (35), p.19537-19546

2021

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Dynamical correlations in simple disorder and complex disorder liquids

Journal of molecular liquids, 2024-01, Vol.393, p.123421, Article 123421

2024

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Microscopic origin of the scattering pre-peak in aqueous propylamine mixtures: X-ray and neutron experiments versus simulations

Physical chemistry chemical physics : PCCP, 2019-05, Vol.21 (18), p.9317-9325

2019

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Dynamical correlations in simple disorder and complex disorder liquids

Journal of molecular liquids, 2024-01, Vol.393

2024

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Lifshitz phase: the microscopic structure of aqueous and ethanol mixtures of 1,n-diols

Physical chemistry chemical physics : PCCP, 2017-06, Vol.19 (23), p.14992-154

2017

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Isomeric effects in structure formation and dielectric dynamics of different octanols

Physical chemistry chemical physics : PCCP, 2021-11, Vol.23 (42), p.24211-24221

2021

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On the X‑ray Scattering Pre-peak of Linear Mono-ols and the Related Microstructure from Computer Simulations

Camel back shaped Kirkwood–Buff integrals

Role of Charge Ordering in the Dynamics of Cluster Formation in Associated Liquids

Lifetime distribution of clusters in binary mixtures involving hydrogen bonding liquids

Structure and dynamics of liquid linear and cyclic alkanes: A molecular dynamics study

The influence of charge ordering in the microscopic structure of monohydroxy alcohols

How SGLT2 inhibitors interact with metformin? A molecular dynamics study

Thermodynamic, structural and dynamic properties of selected non-associative neat liquids

Why Should Metformin Not Be Given in Advanced Kidney Disease? Potential Leads from Computer Simulations

The influence of binary mixtures' structuring on the calculation of Kirkwood-Buff integrals: A molecular dynamics study

Dynamics of urea-water mixtures studied by molecular dynamics simulation

The structuring in mixtures with acetone as the common solvent

Evolution of the micro-structure of aqueous alcohol mixtures with cooling: A computer simulation study

A simple two dimensional model of methanol

Structure and dynamics in aqueous mixtures of glycerol: insights from molecular dynamics simulations

Reply to the 'Comment on "Universal features in the lifetime distribution of clusters in hydrogen-bonding liquids"' by J. Grelska, Phys. Chem. Chem. Phys. , 2024, 26 , https://doi.org/10.1039/D3CP05269A

On the dual behaviour of water in octanol-rich aqueous n -octanol mixtures: an X-ray scattering and computer simulation study

Comparative analysis of ethanol dynamics in aqueous and non-aqueous solutions

Micro-heterogeneity versus clustering in binary mixtures of ethanol with water or alkanes

Universal features in the lifetime distribution of clusters in hydrogen-bonding liquids

Dynamical correlations in simple disorder and complex disorder liquids

Microscopic origin of the scattering pre-peak in aqueous propylamine mixtures: X-ray and neutron experiments versus simulations

Dynamical correlations in simple disorder and complex disorder liquids

Lifshitz phase: the microscopic structure of aqueous and ethanol mixtures of 1,n-diols

Isomeric effects in structure formation and dielectric dynamics of different octanols

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