Zobrazeno 1 - 10 of 80 pro vyhledávání: '"Tomaz Urbic"'
1
Akademický článek
The Magnetic Field Freezes the Mercedes–Benz Water Model
Autor: Tomaz Urbic
Publikováno v: Entropy, Vol 25, Iss 12, p 1618 (2023)
In this study, we investigate the impact of magnetic fields on the structural and thermodynamic properties of water. To accomplish this, we employed the Mercedes–Benz (MB) model, a two-dimensional representation of water using Lennard–Jones disks
Externí odkaz: https://doaj.org/article/4bbfa5226a2f49c28d2e2b3e0c16f7fb
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2
Akademický článek
Thermally Induced Transitions of d(G4T4G3) Quadruplexes Can Be Described as Kinetically Driven Processes
Autor: Iztok Prislan, Tomaz Urbic, Natasa Poklar Ulrih
Publikováno v: Life, Vol 12, Iss 6, p 825 (2022)
DNA sequences that are rich in guanines and can form four-stranded structures are called G-quadruplexes. Due to the growing evidence that they may play an important role in several key biological processes, the G-quadruplexes have captured the intere
Externí odkaz: https://doaj.org/article/9363956cc2094ef4bc1e584e68adab5d
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3
Report
Clustering in complex ionic liquids in two dimensions
Autor: Aurélien, Perera, Tomaz, Urbic
Publikováno v: Journal of Molecular Liquids (2018)
Two-dimensional ionic liquids with single site anion and cation-neutral dimer are studied by computer simulations and integral equation techniques, with the aim of characterizing differences with single site anion-cation mixtures, and also with three
Externí odkaz: http://arxiv.org/abs/1802.02357
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4
The electric field changes the anomalous properties of the Mercedes Benz water model
Autor: Tomaz Urbic
Publikováno v: Physical Chemistry Chemical Physics. 25:4987-4996
The influence of a homogeneous constant electric field on water properties was assessed.
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d003169a4f4f1828539b62f43aebbd8e
https://doi.org/10.1039/d2cp05670d
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6
Monte Carlo simulations of simple two dimensional water-alcohol mixtures
Autor: Paulina Pršlja, Taja Žibert, Tomaz Urbic
Publikováno v: Journal of molecular liquids, vol. 368, no. pt. a, 120692, 2022.
Journal of molecular liquids, str. 1-12 : Ilustr., Vol. 368, pt. A, 15 Dec. 2022
COBISS-ID: 15382277
Simple alcohols such as methanol and ethanol, are organic chemicals that can be used to store energy, which can be used as an alternative to fossil fuels. Each alcohol has at least one hydroxyl group attached to a carbon atom of an alkyl group. They
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9c4bb9c8ae3cbe9a007d7ec72b1ecda6
https://aaltodoc.aalto.fi/handle/123456789/117859
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7
Structure and thermodynamics of a 2D Lennard-Jones hexagonal fluid
Autor: Anže Hubman, Tomaz Urbic
Publikováno v: Molecular simulation, vol. 48, no. 16, 2022.
The thermodynamic and structural properties of the 2D hexagonal soft-sites fluid are examined by integral equation theory benchmarked against extensive Monte Carlo simulations. Hexamers are built of six equal Lennard-Jones segments. Site-site integra
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1c8b960b5c2bb261731e1711017545f5
https://hdl.handle.net/20.500.12556/RUL-138813
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8
Two-dimensional core-softened model with water like properties: solvation of non-polar solute
Autor: Tomaz Urbic, Nina Podjed
Publikováno v: Molecular Simulation. 47:973-981
Monte Carlo simulations and integral equation theory were used to study the thermodynamics and structure of mixture of particles interacting through the smooth version of Stell–Hemmer interaction a...
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::7dd3e7be7ec3cecae471d0c646e59455
https://doi.org/10.1080/08927022.2021.1932876
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9
Analytical 2-Dimensional Model of Nonpolar and Ionic Solvation in Water
Autor: Ajeet Kumar Yadav, Tomaz Urbic, Ken A. Dill, Pradipta Bandyopadhyay
Publikováno v: J Phys Chem B
The journal of physical chemistry. B, vol 125, iss 7
A goal in computational chemistry is computing hydration free energies of nonpolar and charged solutes accurately, but with much greater computational speeds than in today's explicit-water simulations. Here, we take one step in that direction: a simp
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c4624371fbb6d5297fc4b1c3d4a5c453
https://doi.org/10.1021/acs.jpcb.0c10329
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10
Statistical-mechanical liquid theories reproduce anomalous thermodynamic properties of explicit two-dimensional water models
Autor: Peter Ogrin, Tomaz Urbic, Christopher J. Fennell
Publikováno v: Physical review. E. 106(3-1)
We have developed an analytical theory for a simple model of liquid water. We apply Wertheim's thermodynamic perturbation theory (TPT) and integral equation theory (IET) for associative liquids to the rose model, which is among the simplest models of
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a50ca4cc829e24dc2bb5a2b87107672a
https://pubmed.ncbi.nlm.nih.gov/36266898
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