| Amber 2021 DA Case, HM Aktulga, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, ... University of California, San Francisco, 2021 | 5103 | 2021 |
| Self-consistent description of a metal–water interface by the Kohn–Sham density functional theory and the three-dimensional reference interaction site model A Kovalenko, F Hirata The Journal of chemical physics 110 (20), 10095-10112, 1999 | 736 | 1999 |
| AMBER11. University of California, San Francisco DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... Google Scholar There is no corresponding record for this reference, 2010 | 550* | 2010 |
| Three-dimensional density profiles of water in contact with a solute of arbitrary shape: a RISM approach A Kovalenko, F Hirata Chemical Physics Letters 290 (1-3), 237-244, 1998 | 485 | 1998 |
| ADF2017, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ... ADF. Available online: http://www. scm. com (accessed on 20 April 2020), 2014 | 462 | 2014 |
| Potentials of mean force of simple ions in ambient aqueous solution. I. Three-dimensional reference interaction site model approach A Kovalenko, F Hirata The Journal of Chemical Physics 112 (23), 10391-10402, 2000 | 329 | 2000 |
| Three-dimensional molecular theory of solvation coupled with molecular dynamics in Amber T Luchko, S Gusarov, DR Roe, C Simmerling, DA Case, J Tuszynski, ... Journal of chemical theory and computation 6 (3), 607-624, 2010 | 289 | 2010 |
| Solution of three‐dimensional reference interaction site model and hypernetted chain equations for simple point charge water by modified method of direct inversion in iterative … A Kovalenko, S Ten‐no, F Hirata Journal of Computational Chemistry 20 (9), 928-936, 1999 | 279 | 1999 |
| AMBER 2018, University of California, San Francisco, 2018 DA Case, JT Berryman, RM Betz, DS Cerutti, TE Cheatham III, TA Darden, ... Google Scholar There is no corresponding record for this reference, 2015 | 267 | 2015 |
| The FF14SB force field DA Case, V Babin, JT Berryman, RM Betz, Q Cai, DS Cerutti, ... Amber 14, 29-31, 2014 | 243 | 2014 |
| Diazonium-derived aryl films on gold nanoparticles: Evidence for a carbon–gold covalent bond L Laurentius, SR Stoyanov, S Gusarov, A Kovalenko, R Du, GP Lopinski, ... ACS nano 5 (5), 4219-4227, 2011 | 243 | 2011 |
| Potential of mean force between two molecular ions in a polar molecular solvent: A study by the three-dimensional reference interaction site model A Kovalenko, F Hirata The Journal of Physical Chemistry B 103 (37), 7942-7957, 1999 | 221 | 1999 |
| Coarse-grained molecular simulation of diffusion and reaction kinetics in a crowded virtual cytoplasm D Ridgway, G Broderick, A Lopez-Campistrous, M Ru’aini, P Winter, ... Biophysical journal 94 (10), 3748-3759, 2008 | 217 | 2008 |
| ADF2017, SCM, Theoretical Chemistry EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ... Vrije Universiteit, 2017 | 213 | 2017 |
| Molecular basis for water-promoted supramolecular chirality inversion in helical rosette nanotubes RS Johnson, T Yamazaki, A Kovalenko, H Fenniri Journal of the American Chemical Society 129 (17), 5735-5743, 2007 | 209 | 2007 |
| ADF2017 EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ... SCM, Theoretical Chemistry, 2017 | 197 | 2017 |
| Hydration free energy of hydrophobic solutes studied by a reference interaction site model with a repulsive bridge correction and a thermodynamic perturbation method A Kovalenko, F Hirata The Journal of Chemical Physics 113 (7), 2793-2805, 2000 | 197 | 2000 |
| Helical rosette nanotubes with tunable stability and hierarchy JG Moralez, J Raez, T Yamazaki, RK Motkuri, A Kovalenko, H Fenniri Journal of the American Chemical Society 127 (23), 8307-8309, 2005 | 183 | 2005 |
| Water molecules in a protein cavity detected by a statistical− mechanical theory T Imai, R Hiraoka, A Kovalenko, F Hirata Journal of the American Chemical Society 127 (44), 15334-15335, 2005 | 177 | 2005 |
| Potentials of mean force of simple ions in ambient aqueous solution. II. Solvation structure from the three-dimensional reference interaction site model approach, and … A Kovalenko, F Hirata The Journal of Chemical Physics 112 (23), 10403-10417, 2000 | 170 | 2000 |
