List of publications, László Pusztai

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(IF: impact factor of journal)



Research papers



  1. L Pusztai, A Baranyai and I Ruff, 'Vacancies in molten salts: A characteristic feature of the structure', J. Phys. C: Solid State Phys. 21, 3687 (1988) IF: 1.98



  1. A Baranyai, L Pusztai and I Ruff, 'Second order invariants of spherical harmonics as order parameters in disordered systems', Electrochimica Acta 33, 1229 (1988) IF: 1.19



  1. RL McGreevy and L Pusztai, 'Reverse Monte Carlo simulation: A new technique for the determination of disordered structures', Mol.Sim. 1, 359 (1988) IF: 1.38



  1. L Pusztai and RL McGreevy, 'Vacancy dynamics in molten RbCl', Phys. Chem. Liq. 19, 63 (1989) IF: 0.74



  1. L Pusztai and RL McGreevy, 'Dynamics of molten alkali halides: LiCl and KCl', J. Phys.: Cond. Matt. 1, 2369 (1989) IF: 2.41



  1. RL McGreevy and L Pusztai, 'The structure of molten salts', Proc. Roy. Soc. Lond. A 430, 241 (1990) IF: 1.55



  1. L Pusztai and RL McGreevy, 'The structure of glassy zinc chloride: A Reverse Monte Carlo study', J. Non-Cryst. Sol. 117-118, 627 (1990) IF: 1.02



  1. L Pusztai, 'Modelling of partial and total radial distribution functions of amorphous Ni2B using Reverse Monte Carlo Simulation', Z. Naturf. 46a, 69 (1991) IF: 0.70



  1. L Pusztai and G Tóth, 'On the uniqueness of the Reverse Monte Carlo simulation: 1. Simple liquids, partial radial distribution functions', J. Chem. Phys. 94, 3042 (1991) IF: 3.57

  2. L Pusztai and RL McGreevy, 'The structure of liquid and superfluid 4He across the ïﾁ¬-point', Phys. Chem Liq. 24 119 (1991) IF: 0.46



  1. G Tóth and L Pusztai, 'Comparative studies of the underlying local order corresponding to different radial distributions of disordered systems', Chem. Phys. 160, 405 (1992) IF: 1.96



  1. G Tóth and L Pusztai, 'Determination of the radial distribution function of small particle polymer latices using Reverse Monte Carlo Simulation' , J. Phys. Chem. 96, 7150 (1992) IF: 3.45



  1. G Tóth and L Pusztai, 'Determination of effective hard core diameters of liquids from their static vacancy distributions', Z. Phys. Chem. 178, 55 (1992) IF: 0.68



  1. EW Iparraguirre, J Sietsma, BJ Thijsse and L Pusztai, ' A Reverse Monte Carlo study of amorphous Ni81B19', Computational Materials Science 1, 110 (1993) IF: 0.67



  1. L Pusztai and E Sváb, 'Structure study of Ni62Nb38 metallic glass using Reverse Monte Carlo simulation', J. Non-Cryst. Sol. 156-158, 973 (1993) IF: 0.97



  1. MA Howe, RL McGreevy, L Pusztai and I Borzsák', Determination of 3 body correlations in simple liquids by RMC modelling of diffraction data. 2. Elemental liquids', Phys. Chem. Liq. 25, 205 (1993) IF: 0.40

  2. S Kugler, L Pusztai, L Rosta, R Bellisent and P Chieux, 'The structure of evaporated pure amorphous silicon: Neutron diffraction and Reverse Monte Carlo investigations', Phys. Rev. B 48, 7685 (1993) IF: 3.16



  1. L Pusztai and S Kugler, 'Reverse Monte Carlo simulation: The structure of amorphous silicon', J. Non-Cryst. Sol. 164-166, 147 (1993) IF: 0.97

[Short version: S Kugler and L Pusztai, `Investigations on the structure of evaporated pure

amorphous silicon', Acta Physica Hungarica 75, 261 (1994)]



  1. L Pusztai and E Sváb, 'Modelling the structure of Ni65B35 metallic glass by Reverse Monte Carlo simulation', J. Phys: Cond. Mat., 5, 8815 (1993) IF: 1.65



  1. OA Pizio and L Pusztai, 'Triplet correlations in the molten phase of Ag2Se superionic conductor', Chem. Phys. Lett., 214, 125 (1993) IF: 3.02



  1. PA Duine, L Pusztai and J Sietsma, 'A search for static-structure changes in disordered systems in connection with atomic-mobility changes', Mat. Sci. Eng. A178, 279 (1994) IF: 0.99



  1. L Pusztai and O Gereben, 'On the determination of the structure of metallic glasses by Reverse Monte Carlo simulation: Comparison with hard sphere Monte Carlo results', Mat. Sci. Eng. A179/180, 433 (1994) IF: 0.99



  1. O Gereben, L Pusztai and A Baranyai, 'Calculation of the three-particle contribution to the configurational entropy for two different models of amorphous Si', Phys. Rev. B 49, 13251 (1994) IF: 3.19



  1. G Pető, Zs Horváth, O Gereben, L Pusztai, F Hajdú and E Sváb, 'Implantation-induced structural changes in evaporated amorphous Ge', Phys. Rev. B 50, 539 (1994) IF: 3.19



  1. O Gereben and L Pusztai, `Structure of amorphous semiconductors: Reverse Monte Carlo studies on a-C, a-Si and a-Ge', Phys. Rev. B, 50, 14136 (1994) IF: 3.19



  1. PA Duine, J Sietsma, BJ Thijsse and L Pusztai, `A Reverse Monte Carlo study of structure changes in amorphous Pd52Ni32P16 upon annealing', Phys. Rev. B, 50, 13240 (1994) IF: 3.19



  1. O Gereben, L Pusztai and A Baranyai, `Possible quantitative measures of order/disorder in models of liquid and amorphous structures', J. Phys.: Condensed Matter, 6, 10939 (1994) IF: 1.56

  1. L Pusztai, O Gereben and A Baranyai, `Some remarks on the measured structure factor', Physica Scripta, T57, 69 (1994) IF: 0.99



  1. L Pusztai, J Sietsma and BJ Thijsse, `Structure and relaxation of the metallic glass Pd52Ni32P16 modelled by Reverse Monte Carlo simulation', Phil Mag. B, 71, 383 (1995) IF: 1.23



  1. O Gereben and L Pusztai, `Determination of the microscopic structure of disordered materials on the basis of limited Q-space information', Phys. Rev. B 51, 5768 (1995)

[Short version: L Pusztai and O Gereben, `Pair correlation functions obtained from very

short structure factors, using Reverse Monte Carlo', Acta Physica Hungarica 75, 257 (1994)] IF: 2.83



  1. L Pusztai, `Partial pair correlation functions of some Ge-Sb Liquid alloys from single diffraction measurements', ACH -- Models in Chemistry 132, 99 (1995) IF: 0.39



  1. L Pusztai and O Gereben, `Reverse Monte Carlo approach to the structure of amorphous semiconductors', J. Non-Cryst. Solids 192-193, 640-643 (1995) IF: 1.13



  1. O Gereben and L Pusztai, `The determination of the microscopic density in liquids and other disordered materials using Reverse Monte Carlo simulation', Phys. Chem. Liquids 31, 159 (1996) IF: 0.31



  1. RL McGreevy and L Pusztai, `Assessing the relative information content of different types of diffraction measurements for liquids and glasses', J. Neutron Research 3, 125 (1996) IF: ???



  1. O Gereben and L Pusztai, `The like-like-like partial triplet correlation functions of amorphous Ni62Nb38', J. Non-Cryst. Solids, 205-207, 716 (1996) IF: 1.13



  1. L Pusztai and RJ Newport, `Reverse Monte Carlo model calculations on a-C:H two-component systems', Z. Phys. B, 101, 631 (1996) IF: 1.65



  1. L Pusztai and RL McGreevy, `The structure of liquid CCl4', Molec. Phys., 90, 533 (1997) IF: 1.70

  1. L Pusztai and RL McGreevy,`MCGR: an inverse method for deriving the pair correlation function from the structure factor', Physica B 234-236, 357 (1997) IF: 0.99



  1. L Pusztai and RL McGreevy, 'The structure of molten CuBr', J. Phys.: Condensed Matter 10, 525 (1998) IF: 1.65



  1. L Pusztai, 'Structural modelling using the reverse Monte Carlo technique: Application to amorphous semiconductors', J. Non-Cryst. Sol. 227-230, 88 (1998) IF: 1.06



  1. RL McGreevy and L. Pusztai, 'RMC modelling methods for polymers and polymer electrolytes: progress, problems and prospects', Electrochimica Acta 43, 1349 (1998) IF: 1.52



  1. G. Tóth, L. Pusztai, A. Baranyai, 'Comment on: A new algorithm for Reverse Monte Carlo simulations [J. Chem. Phys. 109, 2634 (1998)]', J. Chem. Phys. 111, 5620 (1999) IF: 3.29



  1. L. Pusztai, 'On the partial pair correlation functions of liquid water', Phys. Rev. B 60, 11851 (1999) IF: 3.01



  1. L Pusztai, RL McGreevy, 'MCGR: an Inverse Method for Deriving the Pair Correlation Function', J. Neutron Res. 8, 17 (1999) IF: ???



  1. L. Pusztai, 'On the structure of high and low density amorphous ice', Phys. Rev. B 61, 28 (2000 January) IF: 3.07



  1. L. Pusztai, `Comparison between the structures of liquid water and (high and low density) amorphous ice', PCCP 2, 2703 (2000 May) IF: 1.65



  1. L. Pusztai, 'How well do we know the structure of liquid water?', Physica B 276-278, 419 (2000) IF: 0.89



  1. P. Jóvári, Gy. Mészáros, L. Pusztai, L. Sváb, 'Neutron diffraction studies on liquid CCl4 and C2Cl4', Phyica B 276-278, 491 (2000) IF: 0.89



  1. P. Jóvári, Gy. Mészáros, L. Pusztai, L. Sváb, 'The structure of liquid tetrachlorides CCl4, SiCl4, GeCl4, TiCl4, VCl4 and SnCl4', J. Chem. Phys. 114, 8082 (2001 May) IF: 3.15



  1. P. Jóvári, L. Pusztai, 'Structure of disordered forms of selenium close to the melting point', Phys. Rev. B 64, 014205 (2001 June) IF: 3.07



  1. L. Pusztai, R.L. McGreevy, 'The structure of molten ZnCl2 and MgCl2', J. Phys.: Condens. Matter 13, 7213 (2001 August) IF: 1.70



  1. L. Pusztai, 'Further notes concerning the partial pair correlation functions of liquid (ambient) water', Physica A 314, 514-520 (2002 August) IF: 1.37



  1. L. Pusztai, H. Dominguez, O.A. Pizio, 'Reverse Monte Carlo simulation of the microscopic structure for chemically associating fluids by using experimental data', Physica A 316, 65-76 (2002) IF: 1.37



  1. P. Jóvári, L. Pusztai, 'On the structure of red amorphous phosphorus', Appl. Phys. A, 74 [Suppl.], S1092-S1094 (2002) IF: 2.23



  1. P. Jóvári, Gy. Mészáros, L. Pusztai, E. Sváb, 'Neutron diffraction studies of some simple molecular systems: Si2Cl6, CBr3D and CD3I', Appl. Phys. A, , 74 [Suppl.], S1354-S1356 (2002) IF: 2.23



  1. L. Pusztai, J.-C. Soetens, P.A. Bopp, 'The static dielectric constant and molecular geometries in ambient water studied by reverse Monte Carlo simulations', Physica A 323, 42-50 (2003 April) IF: 1.18



  1. P. Jóvári, R.G. Delaplane, L. Pusztai, 'Structural models of amorphous selenium', Phys. Rev. B 67, 172201(-1-4) (2003 May) IF: 2.96



  1. A. Patrykiejew, O. Pizio, L. Pusztai, S. Sokolowski, 'Effects of slit-like pore confinement on the closed loop immiscibility in symmetric binary model mixtures: fundamental measure density functional approach', Mol. Phys. 101, 2219-2223 (2003) IF: 1.59



  1. S. Kugler, K. Kohary, K. Kádas, L. Pusztai, 'Unusual atomic arrangements in amorphous silicon', Sol. St. Comm. 127, 305-309 (2003 June) IF: 1.60



  1. L. Pusztai, H. Dominguez, O.A. Pizio, 'The structure of dimerizing fluids from "experimental" diffraction data by reverse Monte Carlo modelling', Revista Mexicana de Física 49, 212-218 (2003) IF: 0.20



  1. S. Kugler, K. Kohary, K. Kádas, L. Pusztai, 'Small bond angles in amorphous silicon: are they a new type of defect?', J. Non-Cvryst. Sol., 338-340, 425-429 (2004) IF: 1.43



  1. L. Temleitner, Gy. Mészáros, L. Pusztai, E. Sváb, 'Neutron diffraction studies of molecular liquids using the new detector system of the PSD diffractometer at the Budapest Research Reactor', Physica B, 350, E865-E867 (2004) IF: 0.68



  1. L. Pusztai, H. Dominguez, O.A. Pizio, ' Reverse Monte Carlo Modelling of the Structure of Colloidal Aggregates', J. Coll. Int. Sci., 227, 327-334 (2004 May) IF: 1.78



  1. L. Temleitner, L. Pusztai, 'Orientational correlations in liquid carbon monoxide and nitric oxide', J. Phys.: Cond. Matter 17, S47-S57 (2005 January) IF: 2.15



  1. I. Harsányi, L. Pusztai, 'On the structure of aqueous hydrogen-chloride solutions', J. Phys.: Cond. Matter 17, S59-S65 (2005 January) IF: 2.15



  1. G. Evrard, L. Pusztai, 'Data vs. constraints in RMC modelling: case study with molecular liquid CCl4', J. Phys.: Cond. Matter 17, S37-S46 (2005 January) IF: 2.15



  1. G. Evrard, L. Pusztai, 'Reverse Monte Carlo modelling of the structure of disordered materials with RMC++: a new implementation of the algorithm in C++', J. Phys.: Cond. Matter 17, S1-S13 (2005 January) IF: 2.15



  1. I. Harsányi, L. Pusztai, 'On the structure of aqueous lithium-chloride solutions', J. Chem. Phys 122, 124512 (2005 April) IF: 3.14



  1. L. Pusztai, S. Kugler, 'Comparison of the structures of evaporated and ion-implanted amorphous silicon samples', J. Phys.: Cond Matter 17, 2617-2624 (2005 April) IF: 2.15



  1. L. Pusztai, R.L. McGreevy, 'On the structure of simple liquids SbCl5 and WCl6', J. Chem. Phys 125, 044508/1-7 (2006 July) IF: 3.14



  1. I. Harsányi, L. Pusztai, J.-C. Soetens, L. Pusztai, 'Molecular dynamics simulaitons of aqueous RbBr solutions over the entire solubility range', J. Mol. Liq., 129, pp. 80-85 (2006 November) IF: 0.83



  1. P. Jóvári, L. Pusztai, 'Structural changes in liquid selenium with increasing temperature', J. Mol. Liq., 129, pp. 115-119 (2006 November) IF: 0.83



  1. I. Harsányi, P. Jóvári, Gy. Mészáros, L. Pusztai, Ph. A. Bopp, 'Neutron and X-ray diffraction studies of aqueous rubidium bromide solutions', J. Mol. Liq.,131-132, pp. 60-64 (2007 March) IF: 0.83



  1. T. Arai, L. Pusztai, R.L. McGreevy, 'Polyanions in molten KPb―a paradox explained?', J. Phys.: Condens. Matter 19, 335202 (10pp) (2007 August) IF: 2.15



  1. L. Temleitner, L. Pusztai, 'Orientational correlations in liquid, supercritical and gaseous carbon dioxide', J. Phys.: Condens. Matter 19, 335203 (12pp) (2007 August) IF: 2.15



  1. Sz. Pothoczki, L. Pusztai, S. Kohara, 'The structure of liquid iodomethane, CH3I/CD3I', J. Phys.: Condens. Matter 19, 335204 (9pp) (2007 August) IF: 2.15



  1. B. Gabrys, L. Pusztai, D.G. Pettifor, 'On the structure of liquid phosphorous tribromide (PBr3)', J. Phys.: Condens. Matter 19, 335205 (10pp) (2007 August) IF: 2.15



  1. L. Temleitner, L. Pusztai, W. Schweika, 'The structure of liquid water by polarized neutron diffraction and reverse Monte Carlo modelling', J. Phys.: Condens. Matter 19, 335207 (12pp) (2007 August) IF: 2.15



  1. I. Harsányi, L. Pusztai, 'Hydration of ions in aqueous RbCl solutions', J. Phys.: Condens. Matter 19, 335208 (12pp) (2007 August) IF: 2.15



  1. O. Gereben, L. Pusztai, R.L. McGreevy, 'Development of the time-dependent reverse Monte Carlo simulation, RMCt', J. Phys.: Condens. Matter 19, 335223 (22pp) (2007 August) IF: 2.15



  1. O. Gereben, P. Jóvári, L. Temleitner, L. Pusztai, 'A new version of the RMC++ Reverse Monte Carlo programme, aimed at investigating the structure of covalent glasses', J. Optoel. Adv. Mater. 9, pp. 3021-3027 (2007 October) IF: 1.11



  1. H. Dominguez, O. Pizio, L. Pusztai, S. Sokolowski, 'The Structural Properties and Diffusion of a Three-dimensional Isotropic Core-softened Model Fluid in Disordered Porous Media. Molecular Dynamics Simulation', Adsoprtion Science&Technology 25, pp.479-491 (2007) IF: 0.56



  1. L. Pusztai, I. Harsányi, H. Dominguez, O. Pizio, 'Assessing the level of consistency between diffraction experiments and interaction potentials: A combined molecular dynamics (MD) and Reverse Monte Carlo (RMC) approach', Chem. Phys. Letts. 457, pp. 96-102 (2008 April) IF: 2.17



  1. L. Temleitner, L. Pusztai, Y. Akahama, H. Kawamura, S. Kohara, Y. Ohishi, M. Takata, 'Orientational correlations in high-pressure fluid oxygen and nitrogen', Phys. Rev. B 78, 014205/1-6 (2008July) IF: 3.32



  1. L. Pusztai, Sz. Pothoczki, S. Kohara, 'Orientational correlations in molecular liquid SnI4', J. Chem. Phys. 129, 064509/1-4 (2008) IF: 3.15



  1. L. Pusztai, O. Pizio, S. Sokolowski, 'Comparison of interaction potentials of liquid water with respect to their consistency with neutron diffraction data of pure heavy water', J. Chem. Phys., 129 184103 (2008) IF: 3.15



  1. Sz. Pothoczki, L. Temleitner, P. Jóvári, S. Kohara, L. Pusztai, 'Nanometer range correlations between molecular orientations in liquids of molecules with perfect tetrahedral shape: CCl4, SiCl4, GeCl4 and SnCl4', J. Chem. Phys., 130 064503 (2009) IF: 3.093



  1. Sz. Pothoczki, L. Pusztai, 'Molecular liquid TiCl4 and VCl4: Two substances, one structure ?', J. Mol. Liq.145, pp. 38-40 (2009) IF: 1.278



  1. R. Vácha, T. Megyes, I. Bakó, L. Pusztai, P. Jungwirth, 'Benchmarking polarizable molecular dynamics simulations of aqueous sodium hydroxide by diffraction measurements', Journal of Physical Chemistry A, 113 4022-4027 (2009) IF: 2.87



  1. L. Pusztai, H. Dominguez, O. Pizio, S. Sokolowski, 'Detailed structural analysis of a 2 molal aqueous rubidium bromide solution : A combined molecular dynamics and Reverse Monte Carlo approach', J. Mol. Liq., 147, pp. 52-55 (2009)

IF: 1.278



  1. K. Ohara, Y. Kawakita, L. Temleitner, L. Pusztai, S. Kohara, A. Jono, H. Shimakura, N. Inoue, S. Takeda, 'Structural analysis of Lithium Lanthanum Titanate with perovskite structure', Physica Status Solidi: C., 6, 1004-1007 (2009) IF: approx. 1.0



  1. O. Pizio, L. Pusztai, Z. Sokolowska, S. Sokolowski, 'Solvation force between surfaces modified by tethered chains: a density functional approach', J. Chem. Phys., 130, 13401/1-10 (2009) IF: 3.093



  1. Viktória Mile, László Pusztai, Hector Dominguez, and Orest Pizio, 'Understanding the Structure of Aqueous Cesium Chloride Solutions by Combining Diffraction Experiments, Molecular Dynamics Simulations, and Reverse Monte Carlo Modeling', J. Phys. Chem B, 113, 10760-10769 (2009) IF: 3.471



  1. O. Pizio, H. Dominguez, L. Pusztai, S. Sokolowski, 'A core-softened model fluid in disordered porous media. Grand-canonical Monte Carlo simulation and integral equations', Physica A 388, 2278-2288 (2009) IF: 1.562



  1. Ohara K, Kawakita Y, Pusztai L, Temleitner L, Kohara S, Inoue N, Takeda S; Lattice Distortion and Lithium Conduction Path in a Superionic Conductor with Perovskite Structure; J. Phys. Soc. Jpn;. 79 Suppl. A, pp. 94-97, (2010)



  1. Sz. Pothoczki, S. Kohara, L. Pusztai, 'Partial radial distribution functions of methylene halide molecular liquids', J. Mol. Liq. 153, 112-116 (2010) IF: 1.649



  1. Sz. Pothoczki, L. Temleitner, L. Pusztai, 'Extended orientational correlation study for molecular liquids containing distorted tetrahedral molecules: Application to methylene halides', J. Chem. Phys. 132, 164511/1-7 (2010). IF: 2.92



  1. L. Temleitner, L. Pusztai, 'Local order and orientational correlations in liquid and crystalline phases of carbon tetrabromide from neutron powder diffraction measurements', Phys. Rev. B 81, 134101/1-8 (2010). IF: 3.475



  1. O. Gereben, L. Pusztai, R.L. McGreevy, 'RMCSANS - modelling the inter-particle term of small angle scattering data via the reverse Monte Carlo method', J. Phys: Condens. Matter 22, 404216/1-12 (2010) IF: 1.964



  1. Sz. Pothoczki, L. Temleitner, S. Kohara, P. Jóvári, L. Pusztai, 'The liquid structure of haloforms CHCl3 and CHBr3', J. Phys: Condens. Matter 22, 404211/1-9 (2010) IF: 1.964



  1. A. Vrhovsek, O. Gereben, Sz. Pothoczki, M. Tomsic, A. Jamnik, S. Kohara, L. Pusztai, 'The approach towards understanding the structure of complex molecular systems: the case of lower aliphatic alcohols', J. Phys: Condens. Matter 22, 404214/1-9 (2010) IF: 1.964



  1. K. Ohara, Y. Kawakita, L. Pusztai, L. Temleitner, S. Kohara, N. Inoue, S. Takeda, 'Structural disorder in lithium lanthanum titanate: the basis of superionic conduction', J. Phys: Condens. Matter 22, 404203/1-9 (2010) IF: 1.964



  1. V. Mile, O. Gereben, S. Kohara, L. Pusztai, 'On the structure of aqueous cesium bromide solutions: diffraction experiments, molecular dynamics simulations and Reverse Monte Carlo modeling', J. Mol. Liq. 157, pp. 36-42 (2010) IF: 1.649



  1. Kohara S, Ohno H, Takata M, Usuki T, Morita M, Suzuya K, Akola J, Pusztai L; Lead silicate glasses: binary network-former glasses with unusually large amounts of free volume; Phys. Rev. B; 82, 134209/1-7 (2010) IF: 3.475



  1. Harsányi I, Bopp PA, Vrhovsek A, Pusztai L; On the hydration structure of LiCl aqueous solutions: a Reverse Monte Carlo based combination of diffraction data and Molecular Dynamics simulations; J. Mol. Liq. 158, pp. 61-67 (2011) IF: 1.649



  1. Pothoczki Sz, Temleitner L, Pusztai L; Detailed intermolecular structure of molecular liquids containing slightly distorted tetrahedral molecules with C3v symmetry: chloroform, bromoform and methyl-iodide; J. Chem. Phys. 134, 044521/1-8 (2011) IF: 2.92



  1. Gereben O, Pusztai L; On the accurate calculation of the dielectric constant from molecular dynamics simulations: the case of SPC/E and SWM4-DP water; Chem. Phys. Letts. 507, pp. 80-83 (2011) IF: 2.291



  1. Gereben O, Pusztai L; System size and trajectory length dependence of the static structure factor and the diffusion coefficient as calculated from molecular dynamics simulations: the case of SPC/E water; J. Mol. Liq., 161, pp. 36-40 (2011) IF: 1.649

  2. Gereben O, Pusztai L; Extension of the invariant environment refinement technique + reverse Monte Carlo method of structural modelling for interpreting experimental structure factors: The cases of amorphous silicon, phosphorus, and liquid argon; J. Chem. Phys., 125, 084111/1-6 (2011). IF: 2.92

  3. Vrhovsek A, Gereben O, Jamnik A, Pusztai L; Hydrogen Bonding and Molecular Aggregates in Liquid Methanol, Ethanol and Propanol; J. Phys. Chem B; 115, 13473-13488 (2011)IF: 3.70

  • Harsányi I, Temleitner L, Beuneu B, Pusztai L; Neutron and X-ray diffraction measurements on highly concentrated aqueous LiCl solutions; J. Mol. Liq. 165 94-100 (2012)IF: 1.58

  • Ohara K, Temleitner L, Sugimoto K, Kohara S, Matsunaga T, Pusztai L, Itou M, Ohsumi H, Kojima R, Yamada N, Usuki T, Fujiwara A, Takata M; The roles of the Ge- Te core network and the Sb-Te pseudo network during rapid nucleation-dominated crys- tallization of amorphous Ge2Sb2Te5; Advanced Functional Materials; 22 2251-2257, DOI: 10.1002/adfm.201102940 (2012)IF: 10.18

  • Gereben O, Kohara S, Pusztai L; The liquid structure of some food aromas: joint X-ray diffraction, all-atom Molecular Dynamics and Reverse Monte Carlo investigations of dimethyl sulfide, dimethyl disulfide and dimethyl trisulfide; Journal of Molecular Li- quid; 169 63-73 (2012)IF: 1.58

  • Antipas GSE, Temleitner L, Karalis K, Kohara S, Pusztai L, Xenidis A; A contai- nerless study of short-range order in high-temperature Fe-Si-Al-Ca-Mg-Cr-Cu-Ni oxide systems; Journal of Molecular Structure 1019 151-158 (2012)IF: 1.63

  • Steinczinger Zs, Pusztai L; An independent, general method for checking consis- tency between diffraction data and partial radial distribution functions derived from them: the example of liquid water; Condensed Matter Physics 15 23606:1-6 (2012)IF: 0.81

  • Gereben O, Pusztai L; Molecular Conformations and the Liquid Structure in Bis(methylthio)methane and Diethyl Sulfide: Diffraction Experiments vs Molecular Dy- namics Simulations; J. Phys. Chem. B 116 9114-9121 (2012)IF: 3.70

  • Mile V, Gereben O, Kohara S, Pusztai L; On the Structure of Aqueous Cesium Fluoride and Cesium Iodide Solutions: Diffraction Experiments, Molecular Dynamics Simulations and Reverse Monte Carlo Modeling; J. Phys. Chem. B 116 9758-9767 (2012)IF: 3.70

  • Gereben O, Pusztai L; RMC_POT, a computer code for Reverse Monte Carlo modeling the structure of disordered systems containing molecules of arbitrary complexity; Journal of Computational Chemistry 33 Issue 29, 2285–2291 (2012)IF: 4.58

  • Temleitner L, Pusztai L, Rubio-Arroyo MF, Aguilar-Lopez S, Klimova T, Pizio O; Microscopic and mesoscopic structural features of an activated carbon sample, prepa- red from sorghum via activation by phosphoric acid Materials Research Bulletin 47 4409-4413 (2012)IF: 2.1

  • Harsányi I, Pusztai L; Hydration structure in concentrated aqueous lithium chlo- ride solutions: A reverse Monte Carlo based combination of molecular dynamics simula- tions and diffraction data; J. Chem. Phys. 137 204503/1-9 (2012)IF: 3.33





    Books, book chapters, review articles



    i) In Hungarian:

    1. Baranyai András, Pusztai László, 'Disorder in Condensed Phases' (Latest Developments in Chemistry, Vol. 80, Akadémiai Kiadó, Budapest, 1995.) (in Hungarian)



    1. Pusztai L., 'The Reverse Monte Carlo Simulation: Preliminaries, Technical Details, Results', Kém. Közl. 75, pp. 185-258 (1992) (in Hungarian)



    ii) In English:

    1. L Pusztai, `On the Atomic Structure of Amorphous Semiconductors', Solid State Phenomena 44-46, 25 (1995)



    1. L Pusztai, `Reverse Monte Carlo simulations for determining disordered structures. Basics, and application for amorphous semiconductors', NATO ASI Series Volume 3/23. `Amorphous insulators and semiconductors', Eds.:M.F. Thorpe and M. Mitkova, (Kluwer Academic Publishers), pp. 215-224 (1997)



    1. P. Jóvári, L. Pusztai, 'Structural changes across phase transitions in disordered systems: Liquid sulphur, liquid phosphorus and amorphous ice', NATO ARW Series 'New kinds of phase transitions: Transformations in disordered substances', Eds.: V. V. Brazhkin, S. Buldyrev, H.E. Stanley and V. Ryzhov (Kluwer Academic Publishers), pp. 267-282 (2002)



    1. L. Pusztai, 'Neutron scattering methods in Chemistry', Handbook of Nuclear Chemistry, Eds. A. Vértes, S. Nagy, Z. Klencsár, Vol. 3, Chapter 7, pp. 1-41 (2003)



    1. Pusztai L; 'Reverse Monte Carlo modelling of diffraction data: structural studies of amorphous ices'; Erice Course on High Pressure Crystallography; Eds. A. Katrusiak and P.F. McMillan, NATO Science Series II. (Kluwer Academic Publishers, Doordrect, The Netherlands); Vol. 140; pp. 237-256 (2004)



    1. Pusztai L; 'Reverse Monte Carlo analyses of diffraction data on molecular liquids'; Novel Approaches to the Structure and Dynamics of Liquids; Eds. J. Samios, V.A. Durov, NATO Science Series II. (Kluwer Academic Publishers, Doordrect, The Netherlands); Vol. 133; pp.129-142 (2004)



    1. L. Temleitner, L. Pusztai; 'Investigation of the structural disorder in ice Ih using neutron diffraction and Reverse Monte Carlo modelling'; Physics and Chemistry of Ice; Ed. W. F. Kuhs (Royal Society of Chemistry Publishing, Cambridge, UK); pp. 593-600 (2007)

    2. Pothoczki Sz, Temleitner L, Pusztai L; Determination of molecular orientational correlations in disordered systems from diffraction data; Advances in Chemical Physics; in press (2011) IF: 2.9





    Conference Abstracts (referred and cited by ISI)



    1. L. Pusztai; 'Reverse Monte Carlo modelling of amorphous alloys and covalent glasses'; Acta Cryst. A58 (Supplement), C48 (2002) IF: 1.72

    2. L. Temleitner, L. Pusztai: Orientational ordering in liquids of diatomic molecules, Acta Cryst. A 60 (Supplement), S259 (2004) IF: 1.72

    3. I. Harsányi, L. Pusztai: On the microscopic structure of some aqueous electrolyte solutions Acta Cryst. A 60 (Supplement) S56, (2004) IF: 1.72