High Temperature Aqueous Solvent Effect on Stretching Vibrations of the Hydroxyl Radical – MD Simulation Study of Spectral Shifts and Hydrogen Bond Statistics-Reference-Cited by-同舟云学术

High Temperature Aqueous Solvent Effect on Stretching Vibrations of the Hydroxyl Radical – MD Simulation Study of Spectral Shifts and Hydrogen Bond Statistics

Published:2019-01 Issue: Volume:143 Page:126-133
ISSN:0896-8446
Container-title:The Journal of Supercritical Fluids
language:en
Short-container-title:The Journal of Supercritical Fluids

Author:

Swiatla-Wojcik Dorota^ORCID,Szala-Bilnik Joanna

Funder

Computer Centre of the Lodz University of Technology, Lodz, Poland

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,General Chemical Engineering

Reference37 articles.

1. Role of water in radical reactions: molecular simulation and modelling;Swiatla-Wojcik,2014

2. A perspective on catalysis in sub- and supercritical water;Savage;J. Supercrit. Fluids,2009

3. Supercritical water oxidation - Current status of full-scale commercial activity for waste destruction;Marrone;The Journal of Supercritical Fluids,2013

4. Hydroxyl radical reactivity with nitrobenzene in subcritical and supercritical water;Feng;J. Am. Chem. Soc.,2002

5. The hydration of the OH radical: microsolvation modeling and statistical mechanics simulation;Cabral do Couto;J. Chem. Phys.,2003

Cited by 3 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. 3D Characterization of the Molecular Neighborhood of •OH Radical in High Temperature Water by MD Simulation and Voronoi Polyhedra;International Journal of Molecular Sciences;2023-02-07

2. Vibrational Spectra of the OH Radical in Water: Ab Initio Molecular Dynamics Simulations and Quantum Chemical Calculations Using Hybrid Functionals;Advanced Theory and Simulations;2020-11-05

3. High temperature aqueous solvent effect on translational and hydrogen bond dynamics of the hydroxyl radical — MD simulation study;The Journal of Supercritical Fluids;2019-03