T
Tünde Megyes
Researcher at Chemical Research Center of the Hungarian Academy of Sciences
Publications - 8
Citations - 410
Tünde Megyes is an academic researcher from Chemical Research Center of the Hungarian Academy of Sciences. The author has contributed to research in topics: Molecular dynamics & Solvation shell. The author has an hindex of 7, co-authored 8 publications receiving 364 citations.
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The structure of aqueous sodium hydroxide solutions: a combined solution x-ray diffraction and simulation study.
TL;DR: Car-Parrinello simulation proved to be a suitable tool in the detailed interpretation of the hydration sphere of ions and bulk structure of solutions and the capabilities and limitations of the methods in describing the solution structure are discussed.
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Water–methanol mixtures: topology of hydrogen bonded network
TL;DR: It has been found that more methanol molecules are connected to non-cyclic entities, while more water molecules form rings that might have been predicted on the basis of the stoichiometry of the mixtures.
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Solution structure of NaNO3 in water: diffraction and molecular dynamics simulation study.
Tünde Megyes,Szabolcs Bálint,Emanuel K. Peter,Tamás Grósz,Imre Bakó,Hartmut Krienke,Marie-Claire Bellissent-Funel +6 more
TL;DR: For the solutions studied, diffraction methods were found to perform very well in description of hydration spheres of the sodium ion but do not yield detailed structural information on the anion's hydration structure.
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Benchmarking polarizable molecular dynamics simulations of aqueous sodium hydroxide by diffraction measurements.
TL;DR: The polarizable POL3 model was verified against neutron scattering using a reverse Monte Carlo fitting procedure, and a set of four polarizable models of OH- were developed by fitting against accurate ab initio calculations for small hydroxide-water clusters.
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Mössbauer, vibrational spectroscopic and solution X-ray diffraction studies of the structure of iron(III) complexes formed with indole-3-alkanoic acids in acidic aqueous solutions
Krisztina Kovács,Alexander A. Kamnev,János Mink,Csaba Németh,Ernő Kuzmann,Tünde Megyes,Tamás Grósz,Hedvig Medzihradszky-Schweiger,Attila Vértes +8 more
TL;DR: In this paper, the chemical reactions between iron(III) and indole-3-acetic (IAA), -propionic (IPA), and -butyric (IBA) acids were studied in acidic aqueous solutions.