Search Results - "Szőri, Milán"

Description of the Interfacial Behavior of Benzonitrile at Icy Surfaces by Grand Canonical Monte Carlo Simulations by Honti, Barbara, Szőri, Milán, Jedlovszky, Pál

“…The adsorption of benzonitrile at the surface of crystalline (Ih) and low-density amorphous (LDA) ice has been investigated by grand canonical Monte Carlo…”
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Adsorption of Propylene Oxide on Amorphous Ice under Interstellar Conditions. A Grand Canonical Monte Carlo Simulation Study by Kiss, Bálint, Szőri, Milán, Jedlovszky, Pál

“…The adsorption of propylene oxide at the surface of amorphous ice at temperatures characteristic of various domains of the interstellar medium is investigated…”
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Computer Simulation Investigation of the Adsorption of Cyanamide on Amorphous Ice at Low Temperatures by Jedlovszky, Pál, Horváth, Réka A, Szőri, Milán

“…The adsorption of cyanamide at the surface of low density amorphous (LDA) ice is studied by grand canonical Monte Carlo simulations in the temperature range of…”
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Computational Elucidation of the Solvent-Dependent Addition of 4‑Hydroxy-2-nonenal (HNE) to Cysteine and Cysteinate Residues by Olasz, Balázs, Fiser, Béla, Szőri, Milán, Viskolcz, Béla, Owen, Michael C.

“…The lipid peroxidation end product, 4-hydroxy-2-nonenal (HNE), is a secondary mediator of oxidative stress due to its strong ability to form adducts to the…”
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Adsorption of Formamide at the Surface of Amorphous and Crystalline Ices under Interstellar and Tropospheric Conditions. A Grand Canonical Monte Carlo Simulation Study by Kiss, Bálint, Picaud, Sylvain, Szőri, Milán, Jedlovszky, Pál

“…The adsorption of formamide is studied both at the surface of crystalline (Ih) ice at 200 K and at the surface of low density amorphous (LDA) ice in the…”
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Floating Patches of HCN at the Surface of Their Aqueous Solutions – Can They Make “HCN World” Plausible? by Fábián, Balázs, Szőri, Milán, Jedlovszky, Pál

“…The liquid/vapor interface of the aqueous solutions of HCN of different concentrations has been investigated using molecular dynamics simulation and intrinsic…”
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Adsorption of HCN at the Surface of Ice: A Grand Canonical Monte Carlo Simulation Study by Szőri, Milán, Jedlovszky, Pál

“…Adsorption of HCN molecules at the surface of hexagonal (I h ) ice is studied under tropospheric conditions by a set of grand canonical Monte Carlo…”
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Miscibility and Thermodynamics of Mixing of Different Models of Formamide and Water in Computer Simulation by Kiss, Bálint, Fábián, Balázs, Idrissi, Abdenacer, Szőri, Milán, Jedlovszky, Pál

“…The thermodynamic changes that occur upon mixing five models of formamide and three models of water, including the miscibility of these model combinations…”
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Investigation of the Liquid–Vapor Interface of Water–Formamide Mixtures by Computer Simulation and Intrinsic Surface Analysis by Kiss, Bálint, Fábián, Balázs, Idrissi, Abdenacer, Szőri, Milán, Jedlovszky, Pál

“…Molecular dynamics simulations of the liquid–vapor interface of water–formamide mixtures of different compositions, spanning the entire composition range, have…”
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Adsorption of Methylamine at the Surface of Ice. A Grand Canonical Monte Carlo Simulation Study by Szentirmai, Veronika, Szőri, Milán, Picaud, Sylvain, Jedlovszky, Pál

“…A series of 41 Monte Carlo simulations are performed in the grand canonical ensemble at 200 K to determine the adsorption isotherm and study in detail the…”
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Understanding the Molecular Mechanism of Anesthesia: Effect of General Anesthetics and Structurally Similar Non-Anesthetics on the Properties of Lipid Membranes by Rózsa, Zsófia B., Hantal, György, Szőri, Milán, Fábián, Balázs, Jedlovszky, Pál

“…General anesthesia can be caused by various, chemically very different molecules, while several other molecules, many of which are structurally rather similar…”
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Adsorption of Methylamine on Amorphous Ice under Interstellar Conditions. A Grand Canonical Monte Carlo Simulation Study by Horváth, Réka A, Hantal, György, Picaud, Sylvain, Szőri, Milán, Jedlovszky, Pál

“…The adsorption of methylamine at the surface of amorphous ice is studied at various temperatures, ranging from 20 to 200 K, by grand canonical Monte Carlo…”
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Molecular Dynamics and Metadynamics Insights of 1,4-Dioxane-Induced Structural Changes of Biomembrane Models by Rózsa, Zsófia Borbála, Németh, Lukács József, Jójárt, Balázs, Nehéz, Károly, Viskolcz, Béla, Szőri, Milán

“…1,4-Dioxane is a cytotoxic B2-type human carcinogen, a serious water pollutant produced solely by industrial activity. The effect of 1,4-dioxane on…”
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Vapor–Liquid Equilibrium Study of the Monochlorobenzene–4,6-Dichloropyrimidine Binary System by Haaz, Eniko, Fozer, Daniel, Thangaraj, Ravikumar, Szőri, Milán, Mizsey, Peter, Toth, Andras Jozsef

“…The number of newly synthesized and produced organic chemicals has increased extremely quickly. However, the measurements of their physical properties,…”
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Antioxidant Potential of Glutathione: A Theoretical Study by Fiser, Béla, Szőri, Milán, Jójárt, Balázs, Izsák, Róbert, Csizmadia, Imre G, Viskolcz, Béla

“…All possible X–H (where X can be C, N, O or S) bond dissociation energies (BDEs) of glutathione (γ-l-glutamyl-l-cysteinyl-glycine, GSH) and its fragments have…”
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Conformation-Dependent •OH/H2O2 Hydrogen Abstraction Reaction Cycles of Gly and Ala Residues: A Comparative Theoretical Study by Owen, Michael C, Szőri, Milán, Csizmadia, Imre G, Viskolcz, Bela

“…To determine if •OH can initiate the unfolding of an amino acid residue, the elementary reaction coordinates of H abstraction by •OH different conformations…”
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Multiscale Modeling of Interfacial Oxidation Mechanism at Air/Organic Interface: Reactions of CH2CH-Terminated Self-Assembled Monolayer with OH•, O3, and HO2 by Korcsok, Kitti, Szőri, Milán, Fábián, Balázs, Picaud, Sylvain, Jedlovszky, Pál, Viskolcz, Béla

“…The first few elementary steps of the reactions of a structurally characterized CH2CH-terminated self-assembled monolayer (SAM) with reactive oxygen species,…”
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Computer Simulation Insights into the Chemical Origins of Life: Can HCN Enrichment on Interstellar Amorphous Ice Be a Starting Point? by Tóth Ugyonka, Helga, Hantal, György, Szőri, Milán, Jedlovszky, Pál

“…The adsorption of HCN at the surface of low-density amorphous (LDA) ice and its dissolution in the bulk LDA phase is studied by grand canonical Monte Carlo…”
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Glutathione as a Prebiotic Answer to α‑Peptide Based Life by Fiser, Béla, Jójárt, Balázs, Szőri, Milán, Lendvay, György, Csizmadia, Imre G, Viskolcz, Béla

“…The energetics of peptide bond formation is an important factor not only in the design of chemical peptide synthesis, but it also has a role in protein…”
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Membrane Flash Index: Powerful and Perspicuous Help for Efficient Separation System Design by Toth, Andras Jozsef, Szilagyi, Botond, Fozer, Daniel, Haaz, Eniko, Selim, Asmaa Khaled Mohamed, Szőri, Milán, Viskolcz, Bela, Mizsey, Peter

“…There are different factors and indices to characterize the performance of a pervaporation membrane, but none of them gives information about their…”
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