Items where Author is "Pusztai, László"

Pothoczki, Szilvia and Pethes, Ildikó and Pusztai, László and Temleitner, László and Csókás, Dániel and Kohara, Shinji and Ohara, Koji and Bakó, Imre (2021) Hydrogen bonding and percolation in propan-2-ol – Water liquid mixtures: X-ray diffraction experiments and computer simulations. JOURNAL OF MOLECULAR LIQUIDS, 329. ISSN 0167-7322

Temleitner, László and Hattori, Takanori and Abe, Jun and Nakajima, Yoichi and Pusztai, László (2021) Pressure-Dependent Structure of Methanol–Water Mixtures up to 1.2 GPa: Neutron Diffraction Experiments and Molecular Dynamics Simulations. MOLECULES, 26. p. 1218. ISSN 1420-3049

Pothoczki, Szilvia and Pethes, Ildikó and Pusztai, László and Temleitner, László and Ohara, Koji (2021) Properties of Hydrogen-Bonded Networks in Ethanol-Water Liquid Mixtures as a Function of Temperature: Diffraction Experiments and Computer Simulations. JOURNAL OF PHYSICAL CHEMISTRY B - CONDENSED MATTER MATERIALS SURFACES INTERFACES AND BIOPHYSICAL, 125 (23). pp. 6272-6279. ISSN 1520-6106

Pethes, Ildikó and Pusztai, László and Ohara, Koji and Temleitner, László (2021) Temperature-dependent structure of 1-propanol/water mixtures: X-ray diffraction experiments and computer simulations at low and high alcohol contents. JOURNAL OF MOLECULAR LIQUIDS, 340. p. 117188. ISSN 0167-7322

Bakó, Imre and Csókás, Dániel and Mayer, István and Pothoczki, Szilvia and Pusztai, László (2021) The influence of cations on the dipole moments of neighboring polar molecules. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 121. ISSN 0020-7608

Pethes, Ildikó and Pusztai, László and Ohara, Koji and Kohara, Shinji and Darpentigny, Jacques and Temleitner, László (2020) Temperature-dependent structure of methanol-water mixtures on cooling: X-ray and neutron diffraction and molecular dynamics simulations. JOURNAL OF MOLECULAR LIQUIDS, 314. pp. 1-58. ISSN 0167-7322

Cerar, Jure and Jamnik, Andrej and Pethes, Ildikó and Temleitner, László and Pusztai, László and Tomšič, Matija (2020) Structural, Rheological and Dynamic Aspects of Hydrogen-Bonding Molecular Liquids: Aqueous Solutions of Hydrotropic tert-Butyl Alcohol. Journal of Colloid and Interface Science, 560. pp. 730-742. ISSN 0021-9797 (print); 1095-7103 (online)

Pusztai, László and Kocsi, Balázs and Budai, István and Nagy, Lajos (2020) Investigation of a Production Process Under Uncertainty. POLLACK PERIODICA : AN INTERNATIONAL JOURNAL FOR ENGINEERING AND INFORMATION SCIENCES, 15 (2). pp. 49-59. ISSN 1788-1994 (print); 1788-3911 (online)

Bakó, Imre and Daru, János and Pothoczki, Szilvia and Pusztai, László and Hermansson, Kersti (2019) Effects of H-bond asymmetry on the electronic properties of liquid water – An AIMD analysis. JOURNAL OF MOLECULAR LIQUIDS, 293. No.-111579. ISSN 0167-7322

Pothoczki, Szilvia and Pusztai, László and Bakó, Imre (2019) Molecular Dynamics Simulation Studies of the Temperature-Dependent Structure and Dynamics of Isopropanol–Water Liquid Mixtures at Low Alcohol Content. JOURNAL OF PHYSICAL CHEMISTRY B - CONDENSED MATTER MATERIALS SURFACES INTERFACES AND BIOPHYSICAL, 123. pp. 7599-7610. ISSN 1520-6106

Pusztai, László and Kocsi, Balázs and Budai, István (2019) Making engineering projects more thoughtful with the use of fuzzy value-based project planning. Pollack Periodica, 14 (1). pp. 25-34. ISSN 1788-1994

Pothoczki, Szilvia and Pusztai, László and Bakó, Imre (2018) Temperature dependent dynamics in water-ethanol liquid mixtures. JOURNAL OF MOLECULAR LIQUIDS, 271. pp. 571-579. ISSN 0167-7322

Bakó, Imre and Pethes, Ildikó and Pothoczki, Szilvia and Pusztai, László (2018) Temperature dependent network stability in simple alcohols and pure water: The evolution of Laplace spectra. JOURNAL OF MOLECULAR LIQUIDS, 273. pp. 670-675. ISSN 0167-7322

Méndez-Bermúdez, J.G. and Dominguez, H. and Temleitner, László and Pusztai, László (2018) On the Structure Factors of Aqueous Mixtures of 1-Propanol and 2-Propanol: X-ray Diffraction Experiments and Molecular Dynamics Simulations. PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2018 (18002). ISSN 0370-1972

Pethes, Ildikó and Pusztai, László (2017) Reverse Monte Carlo modeling of liquid water with the explicit use of the SPC/E interatomic potential. JOURNAL OF CHEMICAL PHYSICS, 146 (6). ISSN 0021-9606

Bakó, Imre and Oláh, Julianna and Lábas, Anikó and Bálint, Szabolcs and Pusztai, László (2017) Water-Formamide Mixtures: Topology of the Hydrogen-Bonded Network. JOURNAL OF MOLECULAR LIQUIDS, 228. pp. 25-31. ISSN 0167-7322

Krispán, István and Pusztai, László (2016) Egy gyanús eltűnés poligráfos vizsgálatának módszertana és tanulságai. BELÜGYI SZEMLE: A BELÜGYMINISZTÉRIUM SZAKMAI TUDOMÁNYOS FOLYÓIRATA (2010-), 64 (7-8). pp. 141-150. ISSN 2062-9494

Tscheliessnig, R. and Pusztai, László (2016) Proteins in solution: Fractal surfaces in solutions. CONDENSED MATTER PHYSICS, 19 (1). ISSN 1607-324X

Temleitner, László and Stunault, Anne and Cuello, Gabriel and Pusztai, László (2015) Neutron diffraction of hydrogenous materials: measuring incoherent and coherent intensities separately from liquid water - a 40-year-old puzzle solved. PHYSICAL REVIEW B, 92 (1). ISSN 2469-9950

Galicia-Andres, E. and Dominguez, H. and Pusztai, László and Pizio, O. (2015) On the composition dependence of thermodynamic, dynamic and dielectric properties of water-methanol model mixtures. Molecular dynamics simulation results. CONDENSED MATTER PHYSICS, 18 (4). ISSN 1607-324X

Pethes, Ildikó and Pusztai, László (2015) Reverse Monte Carlo investigations concerning recent isotopic substitution neutron diffraction data on liquid water. JOURNAL OF MOLECULAR LIQUIDS, 212. pp. 111-116. ISSN 0167-7322

Sánchez-Gil, V. and Noya, E. G. and Temleitner, László and Pusztai, László (2015) Reverse Monte Carlo modeling: The two distinct routes of calculating the experimental structure factor. JOURNAL OF MOLECULAR LIQUIDS, 207. pp. 211-215. ISSN 0167-7322

Pothoczki, Szilvia and Temleitner, László and Pusztai, László (2014) The structure of PX3 (X = Cl, Br, I) molecular liquids from X-ray diffraction, molecular dynamics simulations, and reverse Monte Carlo modeling. JOURNAL OF CHEMICAL PHYSICS, 140 (5). ISSN 0021-9606

Antipas, G. S. E. and Temleitner, László and Karalis, K. and Pusztai, László and Xenidis, A. (2013) Atomic order and cluster energetics of a 17 w.t.% Si-based glass versus the liquid phase. JOURNAL OF PHYSICS-CONDENSED MATTER, 25 (45). p. 454206. ISSN 0953-8984

Gereben, Orsolya and Pusztai, László (2013) The liquid structure of tetrachloroethene: Molecular Dynamics simulations and Reverse Monte Carlo modeling with interatomic potentials. JOURNAL OF CHEMICAL PHYSICS, 139. pp. 1-32. ISSN 0021-9606

Temleitner, László and Pusztai, László (2010) Local order and orientational correlations in liquid and crystalline phases of carbon tetrabromide from neutron powder diffraction measurements. Physical Review B (Condensed Matter and Materials Physics), 81 (13). p. 134101. ISSN 1098-0121

Pusztai, László and Harsányi, Ildikó and Jóvári, Pál and Temleitner, László (2009) Folyadék és amorf szerkezetű anyagok vizsgálata diffrakcióval és számítógépes modellezéssel = Investigations of liquid and amorphous structures by diffraction and computer modelling methods. Project Report. OTKA.

Pusztai, László and Fábián, Margit and Harsányi, Ildikó and Jóvári, Pál and Mészáros, György and Sváb, Erzsébet and Temleitner, László (2009) Folyadékok és amorf anyagok szerkezetvizsgálata diffrakcióval és számítógépes modellezéssel = Structural investigations of liquids and amorphous solids by diffraction and computer modelling. Project Report. OTKA.

Sváb, Erzsébet and Kőszegi, László and Mészáros, György and Pusztai, László and Somogyvári, Zoltán (2008) Atomi- és mágneses szerkezetek neutrondiffrakciós vizsgálata = Neutron diffraction study of atomic and magnetic structures. Project Report. OTKA.

Baranyai, András and Pusztai, László and Tóth, Gergely and Túri, László (2008) Vizsgálatok a vízmolekula állapotjelző-független klasszikus modelljének fejlesztéséhez = Studies for the development of state-independent classical model of the water molecule. Project Report. OTKA.

Temleitner, László and Pusztai, László (2006) Investigation of the structural disorder in ice Ih using neutron diffraction and Reverse Monte Carlo Modelling. In: PCI 2006 - 11th International Conference on the Physics and Chemistry of Ice, July 23rd–28th, 2006, Bremerhaven, Germany.