| Computer simulation of structure and properties of crosslinked polymers: application to epoxy resins I Yarovsky, E Evans Polymer 43 (3), 963-969, 2002 | 369 | 2002 |
| Modular assembly of superstructures from polyphenol-functionalized building blocks J Guo, BL Tardy, AJ Christofferson, Y Dai, JJ Richardson, W Zhu, M Hu, ... Nature nanotechnology 11 (12), 1105-1111, 2016 | 276 | 2016 |
| Density functional theory study of the relaxation and energy of iron surfaces MJS Spencer, A Hung, IK Snook, I Yarovsky Surface Science 513 (2), 389-398, 2002 | 168 | 2002 |
| Ordering surfaces on the nanoscale: implications for protein adsorption A Hung, S Mwenifumbo, M Mager, JJ Kuna, F Stellacci, I Yarovsky, ... Journal of the American Chemical Society 133 (5), 1438-1450, 2011 | 156 | 2011 |
| Density-functional theory studies of pyrite FeS2 (100) and (110) surfaces A Hung, J Muscat, I Yarovsky, SP Russo Surface Science 513 (3), 511-524, 2002 | 152 | 2002 |
| Hybrid approach for generating realistic amorphous carbon structure using metropolis and reverse Monte Carlo G Opletal, T Petersen, B O'Malley, I Snook, DG McCulloch, NA Marks, ... Molecular Simulation 28 (10-11), 927-938, 2002 | 136 | 2002 |
| Nanomaterials in biological environment: a review of computer modelling studies AJ Makarucha, N Todorova, I Yarovsky European Biophysics Journal 40 (2), 103-115, 2011 | 135 | 2011 |
| Application of numerical basis sets to hydrogen bonded systems: a density functional theory study NA Benedek, IK Snook, K Latham, I Yarovsky The Journal of chemical physics 122 (14), 144102, 2005 | 134 | 2005 |
| Influence of the chain length and surface density on the conformation and mobility of n-alkyl ligands chemically immobilized onto a silica surface I Yarovsky, MI Aguilar, MTW Hearn Analytical Chemistry 67 (13), 2145-2153, 1995 | 111 | 1995 |
| Electric field effects on insulin chain-B conformation A Budi, FS Legge, H Treutlein, I Yarovsky The Journal of Physical Chemistry B 109 (47), 22641-22648, 2005 | 110 | 2005 |
| Direct dry transfer of chemical vapor deposition graphene to polymeric substrates GJM Fechine, I Martin-Fernandez, G Yiapanis, R Bentini, ES Kulkarni, ... Carbon 83, 224-231, 2015 | 106 | 2015 |
| ZnO Nanostructures for Gas Sensing: Interaction of NO2, NO, O, and N with the ZnO(101̅0) Surface MJS Spencer, I Yarovsky The Journal of Physical Chemistry C 114 (24), 10881-10893, 2010 | 102 | 2010 |
| Effect of frequency on insulin response to electric field stress A Budi, FS Legge, H Treutlein, I Yarovsky The Journal of Physical Chemistry B 111 (20), 5748-5756, 2007 | 82 | 2007 |
| Microstructure of an industrial char by diffraction techniques and Reverse Monte Carlo modelling T Petersen, I Yarovsky, I Snook, DG McCulloch, G Opletal Carbon 42 (12-13), 2457-2469, 2004 | 79 | 2004 |
| Density-functional theory studies of pyrite FeS2 (111) and (210) surfaces A Hung, J Muscat, I Yarovsky, SP Russo Surface Science 520 (1-2), 111-119, 2002 | 78 | 2002 |
| First-principles studies of the structural and electronic properties of pyrite FeS 2 J Muscat, A Hung, S Russo, I Yarovsky Physical Review B 65 (5), 054107, 2002 | 77 | 2002 |
| Structural analysis of carbonaceous solids using an adapted reverse Monte Carlo algorithm T Petersen, I Yarovsky, I Snook, DG McCulloch, G Opletal Carbon 41 (12), 2403-2411, 2003 | 72 | 2003 |
| Surface presentation of functional peptides in solution determines cell internalization efficiency of TAT conjugated nanoparticles N Todorova, C Chiappini, M Mager, B Simona, II Patel, MM Stevens, ... Nano letters 14 (9), 5229-5237, 2014 | 71 | 2014 |
| Systematic comparison of empirical forcefields for molecular dynamic simulation of insulin N Todorova, FS Legge, H Treutlein, I Yarovsky The Journal of Physical Chemistry B 112 (35), 11137-11146, 2008 | 71 | 2008 |
| DFT study of hydrogen adsorption on Al13 clusters I Yarovsky, A Goldberg Molecular Simulation 31 (6-7), 475-481, 2005 | 71 | 2005 |
