| The inhomogeneous structure of water at ambient conditions C Huang, KT Wikfeldt, T Tokushima, D Nordlund, Y Harada, U Bergmann, ... Proceedings of the National Academy of Sciences 106 (36), 15214-15218, 2009 | 702 | 2009 |
| Theoretical approximations to X-ray absorption spectroscopy of liquid water and ice M Leetmaa, MP Ljungberg, A Lyubartsev, A Nilsson, LGM Pettersson Journal of Electron Spectroscopy and Related Phenomena 177 (2-3), 135-157, 2010 | 180 | 2010 |
| Diffraction and IR/Raman data do not prove tetrahedral water M Leetmaa, KT Wikfeldt, MP Ljungberg, M Odelius, J Swenson, A Nilsson, ... The Journal of chemical physics 129 (8), 084502, 2008 | 119 | 2008 |
| KMCLib: A general framework for lattice kinetic Monte Carlo (KMC) simulations M Leetmaa, NV Skorodumova Computer Physics Communications 185 (9), 2340-2349, 2014 | 100 | 2014 |
| On the range of water structure models compatible with X-ray and neutron diffraction data KT Wikfeldt, M Leetmaa, MP Ljungberg, A Nilsson, LGM Pettersson The Journal of Physical Chemistry B 113 (18), 6246-6255, 2009 | 98 | 2009 |
| Are recent water models obtained by fitting diffraction data consistent with infrared/Raman and x-ray absorption spectra? M Leetmaa, M Ljungberg, H Ogasawara, M Odelius, LÅ Näslund, ... The Journal of chemical physics 125 (24), 244510, 2006 | 85 | 2006 |
| Improved catalysts for hydrogen evolution reaction in alkaline solutions through the electrochemical formation of nickel-reduced graphene oxide interface SJ Gutić, AS Dobrota, M Leetmaa, NV Skorodumova, SV Mentus, IA Pašti Physical Chemistry Chemical Physics 19 (20), 13281-13293, 2017 | 56 | 2017 |
| Oxygen-oxygen correlations in liquid water: Addressing the discrepancy between diffraction and extended x-ray absorption fine-structure using a novel multiple-data set fitting … KT Wikfeldt, M Leetmaa, A Mace, A Nilsson, LGM Pettersson The Journal of chemical physics 132 (10), 104513, 2010 | 48 | 2010 |
| Reply to Soper et al.: Fluctuations in water around a bimodal distribution of local hydrogen-bonded structural motifs C Huang, KT Wikfeldt, T Tokushima, D Nordlund, Y Harada, U Bergmann, ... Proceedings of the National Academy of Sciences 107 (12), E45-E45, 2010 | 46 | 2010 |
| StoBe-deMon K Hermann, LGM Pettersson, ME Casida, C Daul, A Goursot, A Koester, ... StoBe-deMon Software: Stockholm-Berlin, 2005 | 37 | 2005 |
| Mean square displacements with error estimates from non-equidistant time-step kinetic Monte Carlo simulations M Leetmaa, NV Skorodumova Computer Physics Communications 191, 119-124, 2015 | 24 | 2015 |
| KMCLib 1.1: Extended random number support and technical updates to the KMCLib general framework for kinetic Monte-Carlo simulations M Leetmaa, NV Skorodumova Computer Physics Communications 196, 611-613, 2015 | 21 | 2015 |
| SpecSwap-RMC: a novel reverse Monte Carlo approach using a discrete set of local configurations and pre-computed properties M Leetmaa, KT Wikfeldt, LGM Pettersson Journal of Physics: Condensed Matter 22 (13), 135001, 2010 | 21 | 2010 |
| Oxygen diffusion in ceria doped with rare-earth elements JO Nilsson, M Leetmaa, OY Vekilova, SI Simak, NV Skorodumova Physical Chemistry Chemical Physics 19 (21), 13723-13730, 2017 | 20 | 2017 |
| General principles for designing supported catalysts for hydrogen evolution reaction based on conceptual Kinetic Monte Carlo modeling IA Pašti, M Leetmaa, NV Skorodumova International Journal of Hydrogen Energy 41 (4), 2526-2538, 2016 | 18 | 2016 |
| StoBe-deMon version 3.1. 2011 K Hermann, LGM Pettersson, ME Casida, C Daul, A Goursot, A Koester, ... Contributing authors, 0 | 13 | |
| StoBe-deMon, version 3.0, 2007 K Hermann, LGM Pettersson, ME Casida, C Dual, A Goursot, A Koester, ... There is no corresponding record for this reference.[Google Scholar], 2008 | 12 | 2008 |
| Modeling Kinetics of Water Adsorption on the Rutile TiO2 (110) Surface: Influence of Exchange‐Correlation Functional JO Nilsson, M Leetmaa, B Wang, PA Žguns, I Pašti, A Sandell, ... physica status solidi (b) 255 (3), 1700344, 2018 | 6 | 2018 |
| Temporal Coarse Graining of CO2 and N2 Diffusion in Zeolite NaKA: From the Quantum Scale to the Macroscopic A Mace, M Leetmaa, A Laaksonen Journal of chemical theory and computation 11 (10), 4850-4860, 2015 | 6 | 2015 |
| Structure Modeling with X-ray Absorption and Reverse Monte Carlo: Applications to Water M Leetmaa Department of Physics, Stockholm University, 2009 | 5 | 2009 |
Lars G M PetterssonProfessor of Chemical Physics, Stockholm University確認したメール アドレス: fysik.su.se
