Parameter-free calculations of X-ray spectra with FEFF9 JJ Rehr, JJ Kas, FD Vila, MP Prange, K Jorissen
Physical Chemistry Chemical Physics 12 (21), 5503-5513, 2010
1297 2010 Ab initio theory and calculations of X-ray spectra JJ Rehr, JJ Kas, MP Prange, AP Sorini, Y Takimoto, F Vila
Comptes Rendus Physique 10 (6), 548-559, 2009
663 2009 Direct determination of the chemical bonding of individual impurities in graphene W Zhou, MD Kapetanakis, MP Prange, ST Pantelides, SJ Pennycook, ...
Physical review letters 109 (20), 206803, 2012
285 2012 Scientific computing in the cloud JJ Rehr, FD Vila, JP Gardner, L Svec, M Prange
Computing in science & Engineering 12 (3), 34-43, 2010
195 2010 Atomic-resolution imaging of spin-state superlattices in nanopockets within cobaltite thin films J Gazquez, W Luo, MP Oxley, M Prange, MA Torija, M Sharma, ...
Nano letters 11 (3), 973-976, 2011
117 2011 Atomic Structure of Highly Strained MD Rossell, R Erni, MP Prange, JC Idrobo, W Luo, RJ Zeches, ...
Physical review letters 108 (4), 047601, 2012
114 2012 Many-pole model of inelastic losses in x-ray absorption spectra JJ Kas, AP Sorini, MP Prange, LW Cambell, JA Soininen, JJ Rehr
Physical Review B—Condensed Matter and Materials Physics 76 (19), 195116, 2007
104 2007 Boehmite and gibbsite nanoplates for the synthesis of advanced alumina products X Zhang, PL Huestis, CI Pearce, JZ Hu, K Page, LM Anovitz, ...
ACS Applied Nano Materials 1 (12), 7115-7128, 2018
94 2018 Modification of defect structures in graphene by electron irradiation: Ab initio molecular dynamics simulations Z Wang, YG Zhou, J Bang, MP Prange, SB Zhang, F Gao
The Journal of Physical Chemistry C 116 (30), 16070-16079, 2012
73 2012 Observations of RF Klie, Q Qiao, T Paulauskas, A Gulec, A Rebola, S Öğüt, MP Prange, ...
Physical Review Letters 108 (19), 196601, 2012
66 2012 Ab initio calculations of electron inelastic mean free paths and stopping powersAP Sorini, JJ Kas, JJ Rehr, MP Prange, ZH Levine
Physical Review B—Condensed Matter and Materials Physics 74 (16), 165111, 2006
66 2006 Cr (III) adsorption by cluster formation on boehmite nanoplates in highly alkaline solution W Cui, X Zhang, CI Pearce, Y Chen, S Zhang, W Liu, MH Engelhard, ...
Environmental Science & Technology 53 (18), 11043-11055, 2019
49 2019 Real space calculation of optical constants from optical to x-ray frequencies MP Prange, JJ Rehr, G Rivas, JJ Kas, JW Lawson
Physical Review B—Condensed Matter and Materials Physics 80 (15), 155110, 2009
48 2009 Low-loss electron energy loss spectroscopy: An atomic-resolution complement to optical spectroscopies and application to graphene MD Kapetanakis, W Zhou, MP Oxley, J Lee, MP Prange, SJ Pennycook, ...
Physical Review B 92 (12), 125147, 2015
43 2015 Physically motivated global alignment method for electron tomography T Sanders, M Prange, C Akatay, P Binev
Advanced Structural and Chemical Imaging 1, 1-11, 2015
36 2015 Predicting surface energies and particle morphologies of boehmite (γ-AlOOH) from density functional theory MP Prange, X Zhang, ME Bowden, Z Shen, ES Ilton, SN Kerisit
The Journal of Physical Chemistry C 122 (19), 10400-10412, 2018
33 2018 Association of defects and zinc in hematite EJ Bylaska, JG Catalano, ST Mergelsberg, SA Saslow, O Qafoku, ...
Environmental Science & Technology 53 (23), 13687-13694, 2019
31 2019 Transformation of gibbsite to boehmite in caustic aqueous solution at hydrothermal conditions X Zhang, W Cui, JZ Hu, HW Wang, MP Prange, C Wan, NR Jaegers, ...
Crystal Growth & Design 19 (10), 5557-5567, 2019
29 2019 Simulation of spatially resolved electron energy loss near-edge structure for scanning transmission electron microscopy MP Prange, MP Oxley, M Varela, SJ Pennycook, ST Pantelides
Physical Review Letters 109 (24), 246101, 2012
28 2012 Period-doubling cascade to chaotic phase dynamics in Taylor vortex flow with hourglass geometry RJ Wiener, GL Snyder, MP Prange, D Frediani, PR Diaz
Physical Review E 55 (5), 5489, 1997
27 1997 