☆ 4.5 Article

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

JOURNAL OF PHYSICAL CHEMISTRY B (2023)

相关参考文献

注意：仅列出部分参考文献，下载原文获取全部文献信息。

Article Chemistry, Physical

Dicyanamide Anion Reports on Water Induced Local Structural and Dynamic Heterogeneity in Ionic Liquid Mixtures

Clara A. Tibbetts et al.

Summary: The effects of limited amounts of water on room-temperature ionic liquid mixtures were studied by analyzing the vibrational features of the dicyanamide anion. The results showed the formation of water-associated and nonwater-associated populations of the anion, with different dynamic behaviors at different water concentrations. Increasing water content accelerated the vibrational relaxation of water-associated populations, but slowed down their spectral diffusion, indicating the formation of distinct and noninterchangeable local solvent environments driven by water.

JOURNAL OF PHYSICAL CHEMISTRY B (2023)

添加到收藏夹

Article Chemistry, Physical

Correlated Fluctuations of Structural Indicators Close to the Liquid-Liquid Transition in Supercooled Water

Riccardo Foffi et al.

Summary: Multiple numerical studies have confirmed the existence of a liquid-liquid critical point and proposed various structural indicators to describe the associated phase transition. Analyzing simulations of near-critical supercooled water, it is found that most indicators are strongly correlated to density, suggesting a tight coupling between apparently distinct structural degrees of freedom near the critical point.

JOURNAL OF PHYSICAL CHEMISTRY B (2023)

添加到收藏夹

Article Chemistry, Physical

Camel back shaped Kirkwood-Buff integrals

Aurelien Perera et al.

Summary: Some binary mixtures exhibit a camel back shaped Kirkwood-Buff integral with two humps, which is in contrast to the usual single extremum. This occurs when one species forms meta-particle aggregates, resulting in their own concentration fluctuations and integral extremum.

JOURNAL OF CHEMICAL PHYSICS (2022)

添加到收藏夹

Article Chemistry, Physical

High-Dimensional Fluctuations in Liquid Water: CombiningChemical Intuition with Unsupervised Learning

Adu Offei-Danso et al.

Summary: This study used data science techniques to characterize the free-energy landscape of water, revealing that fluctuations of the water network occur in a high-dimensional space and a combination of different variables is needed to capture the complexity of the hydrogen bond network fluctuations.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2022)

添加到收藏夹

Article Chemistry, Physical

Water Diffusion Proceeds via a Hydrogen-Bond Jump Exchange Mechanism

Axel Gomez et al.

Summary: This study investigates the molecular mechanism of water diffusion through molecular dynamics simulations and analytic modeling. The researchers establish a quantitative connection between the water diffusion coefficient and hydrogen-bond jump exchanges, and provide an explanation for the coupling between translational, rotational, and hydrogen-bond dynamics in liquid water.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2022)

添加到收藏夹

Article Physics, Multidisciplinary

Topological nature of the liquid-liquid phase transition in tetrahedral liquids

Andreas Neophytou et al.

Summary: This article demonstrates through experiments that the liquid-liquid phase transition in tetrahedral networks can be described as a transition between an unentangled, low-density liquid and an entangled, high-density liquid, with a clear topological distinction between the two phases.

NATURE PHYSICS (2022)

添加到收藏夹

Article Chemistry, Physical

Water Diffusion Proceeds via a Hydrogen-Bond Jump Exchange Mechanism

Axel Gomez et al.

Summary: This study uses molecular dynamics simulations and analytical modeling to determine the molecular mechanism of water diffusion, establishing a quantitative relationship between the water diffusion coefficient and hydrogen-bond jump exchanges. It explains the different temperature dependences of dynamics and discusses the implications for water diffusion in supercooled conditions and water transport in complex aqueous systems.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2022)

添加到收藏夹

Article Chemistry, Physical

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

Martina Pozar et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2020)

添加到收藏夹

Article Multidisciplinary Sciences

The anomalies and criticality of liquid water

Rui Shi et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2020)

添加到收藏夹

Article Chemistry, Physical

Translational and rotational dynamics of high and low density TIP4P/2005 water

Gaia Camisasca et al.

JOURNAL OF CHEMICAL PHYSICS (2019)

添加到收藏夹

Article Chemistry, Physical

Collective hydrogen-bond rearrangement dynamics in liquid water

R. Schulz et al.

JOURNAL OF CHEMICAL PHYSICS (2018)

添加到收藏夹

Review Chemistry, Multidisciplinary

Water: A Tale of Two Liquids

Paola Gallo et al.

CHEMICAL REVIEWS (2016)

添加到收藏夹

Article Chemistry, Physical

The temperature dependence of intermediate range oxygen-oxygen correlations in liquid water

Daniel Schlesinger et al.

JOURNAL OF CHEMICAL PHYSICS (2016)

添加到收藏夹

Article Chemistry, Multidisciplinary

Dynamical Disorder in the DNA Hydration Shell

Elise Duboue-Dijon et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)

添加到收藏夹

Article Chemistry, Physical

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

Martina Pozar et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)

添加到收藏夹

Article Chemistry, Physical

Simple and complex forms of disorder in ionic liquids

Aurelien Perera et al.

JOURNAL OF MOLECULAR LIQUIDS (2015)

添加到收藏夹

Article Chemistry, Physical

Simple and complex disorder in binary mixtures with benzene as a common solvent

Martina Pozar et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)

添加到收藏夹

Review Multidisciplinary Sciences

The structural origin of anomalous properties of liquid water

Anders Nilsson et al.

NATURE COMMUNICATIONS (2015)

添加到收藏夹

Article Chemistry, Physical

Amphiphile Meets Amphiphile: Beyond the Polar-Apolar Dualism in Ionic Liquid/Alcohol Mixtures

Olga Russina et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2014)

添加到收藏夹

Article Biochemical Research Methods

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

Sander Pronk et al.

BIOINFORMATICS (2013)

添加到收藏夹

Article Chemistry, Physical

Benchmark oxygen-oxygen pair-distribution function of ambient water from x-ray diffraction measurements with a wide Q-range

Lawrie B. Skinner et al.

JOURNAL OF CHEMICAL PHYSICS (2013)

添加到收藏夹

Review Chemistry, Multidisciplinary

Water Jump Reorientation: From Theoretical Prediction to Experimental Observation

Damien Laage et al.

ACCOUNTS OF CHEMICAL RESEARCH (2012)

添加到收藏夹

Article Chemistry, Physical

Temperature-dependent structure of ionic liquids: X-ray scattering and simulations

Hemant K. Kashyap et al.

FARADAY DISCUSSIONS (2012)

添加到收藏夹

Article Chemistry, Physical

Aggregation in dilute aqueous tert-butyl alcohol solutions: Insights from large-scale simulations

Rini Gupta et al.

JOURNAL OF CHEMICAL PHYSICS (2012)

添加到收藏夹

Article Chemistry, Analytical

Structural changes in ethanol-water mixtures: Ultrasonics, Brillouin scattering and molecular dynamics studies

A. Asenbaum et al.

VIBRATIONAL SPECTROSCOPY (2012)

添加到收藏夹

Article Chemistry, Physical

Charge ordering and intermediate range order in ammonium ionic liquids

Leonardo J. A. Siqueira et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

添加到收藏夹

Article Chemistry, Physical

Temperature-dependent structure of methyltributylammonium bis(trifluoromethylsulfonyl) amide: X ray scattering and simulations

Cherry S. Santos et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

添加到收藏夹

Article Chemistry, Physical

The putative liquid-liquid transition is a liquid-solid transition in atomistic models of water

David T. Limmer et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

添加到收藏夹

Article Chemistry, Physical

Structural Inhomogeneity of Water by Complex Network Analysis

Francesco Rao et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2010)

添加到收藏夹

Article Chemistry, Physical

Direct Evidence of Angular Jumps During Water Reorientation Through Two-Dimensional Infrared Anisotropy

Guillaume Stirnemann et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2010)

添加到收藏夹

Review Physics, Multidisciplinary

Liquid polyamorphism: Possible relation to the anomalous behaviour of water

H. E. Stanley et al.

EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS (2008)

添加到收藏夹

Article Chemistry, Physical

Structural properties of pure simple alcohols from ethanol, propanol, butanol, pentanol, to hexanol: Comparing Monte Carlo simulations with experimental SAXS data

Matija Tomsic et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2007)

添加到收藏夹

Article Physics, Multidisciplinary

X-ray absorption spectra of water from first principles calculations

D Prendergast et al.

PHYSICAL REVIEW LETTERS (2006)

添加到收藏夹

Article Multidisciplinary Sciences

Tetrahedral structure or chains for liquid water

Teresa Head-Gordon et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2006)

添加到收藏夹

Review Chemistry, Multidisciplinary

GROMACS: Fast, flexible, and free

D Van der Spoel et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2005)

添加到收藏夹

Article Multidisciplinary Sciences

Relation between the Widom line and the dynamic crossover in systems with a liquid-liquid phase transition

LM Xu et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2005)

添加到收藏夹

Article Multidisciplinary Sciences

Unified description of temperature-dependent hydrogen-bond rearrangements in liquid water

JD Smith et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2005)

添加到收藏夹

Review Multidisciplinary Sciences

Interfaces and the driving force of hydrophobic assembly

D Chandler

NATURE (2005)

添加到收藏夹

Article Chemistry, Physical

On the structure and dynamics of ionic liquids

MG Del Pópolo et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2004)

添加到收藏夹

Article Chemistry, Physical

Water: cavity size distribution and hydrogen bonds

G Graziano

CHEMICAL PHYSICS LETTERS (2004)

添加到收藏夹

Article Multidisciplinary Sciences

The structure of the first coordination shell in liquid water

P Wernet et al.

SCIENCE (2004)

添加到收藏夹

Article Physics, Multidisciplinary

Molecular structure of alcohol-water mixtures -: art. no. 157401

JH Guo et al.

PHYSICAL REVIEW LETTERS (2003)

添加到收藏夹

Article Biochemistry & Molecular Biology

On the cavity size distribution in water and n-hexane

G Graziano

BIOPHYSICAL CHEMISTRY (2003)

添加到收藏夹

Article Chemistry, Multidisciplinary

Packing optimization for automated generation of complex system's initial configurations for molecular dynamics and docking

JM Martínez et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)

添加到收藏夹

Review Chemistry, Multidisciplinary

Water structure from scattering experiments and simulation

T Head-Gordon et al.

CHEMICAL REVIEWS (2002)

添加到收藏夹

Article Multidisciplinary Sciences

Molecular segregation observed in a concentrated alcohol-water solution

S Dixit et al.

NATURE (2002)

添加到收藏夹

Article Chemistry, Physical

First-principles realization of a van der Waals-Maxwell theory for water

A Kovalenko et al.

CHEMICAL PHYSICS LETTERS (2001)

添加到收藏夹

© Peeref 2019-2024. All rights reserved.