| 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 | 565* | 2010 |
| ADF2017, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ... ADF. Available online: http://www. scm. com (accessed on 20 April 2020), 2014 | 498 | 2014 |
| ADF2017, SCM, theoretical chemistry EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ... Vrije Universiteit, 2017 | 414 | 2017 |
| 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 | 295 | 2010 |
| The FF14SB force field DA Case, V Babin, JT Berryman, RM Betz, Q Cai, DS Cerutti, ... Amber 14, 29-31, 2014 | 254 | 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 | 253 | 2011 |
| ADF2017 EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ... SCM, Theoretical Chemistry, 2017 | 197 | 2017 |
| An MM/3D-RISM approach for ligand binding affinities S Genheden, T Luchko, S Gusarov, A Kovalenko, U Ryde The Journal of Physical Chemistry B 114 (25), 8505-8516, 2010 | 171 | 2010 |
| Plant biomass recalcitrance: effect of hemicellulose composition on nanoscale forces that control cell wall strength RL Silveira, SR Stoyanov, S Gusarov, MS Skaf, A Kovalenko Journal of the American Chemical Society 135 (51), 19048-19051, 2013 | 143 | 2013 |
| Density functional theory investigation of the contributions of π–π stacking and hydrogen-bonding interactions to the aggregation of model asphaltene compounds LM da Costa, SR Stoyanov, S Gusarov, X Tan, MR Gray, JM Stryker, ... Energy & Fuels 26 (5), 2727-2735, 2012 | 127 | 2012 |
| Self-consistent combination of the three-dimensional RISM theory of molecular solvation with analytical gradients and the Amsterdam density functional package S Gusarov, T Ziegler, A Kovalenko The Journal of Physical Chemistry A 110 (18), 6083-6090, 2006 | 120 | 2006 |
| Single-side-hydrogenated graphene: Density functional theory predictions BS Pujari, S Gusarov, M Brett, A Kovalenko Physical Review B—Condensed Matter and Materials Physics 84 (4), 041402, 2011 | 116 | 2011 |
| Optical control of selectivity of high rate CO2 photoreduction via interband-or hot electron Z-scheme reaction pathways in Au-TiO2 plasmonic photonic crystal photocatalyst S Zeng, E Vahidzadeh, CG VanEssen, P Kar, R Kisslinger, A Goswami, ... Applied Catalysis B: Environmental 267, 118644, 2020 | 112 | 2020 |
| AMBER 14. 2014 DA Case, V Babin, J Berryman, RM Betz, Q Cai, DS Cerutti, ... University of California, San Francisco, 2014 | 112 | 2014 |
| Modeling solvatochromic shifts using the orbital-free embedding potential at statistically mechanically averaged solvent density JW Kaminski, S Gusarov, TA Wesolowski, A Kovalenko The Journal of Physical Chemistry A 114 (20), 6082-6096, 2010 | 108 | 2010 |
| Theoretical Chemistry EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ... Vrije Universiteit, Amsterdam, The Netherlands https://www. scm. com, 2014 | 102 | 2014 |
| Electronic characteristics and charge transport mechanisms for large area aromatic molecular junctions AJ Bergren, RL McCreery, SR Stoyanov, S Gusarov, A Kovalenko The Journal of Physical Chemistry C 114 (37), 15806-15815, 2010 | 100 | 2010 |
| Evaluation of the SCF combination of KS-DFT and 3D-RISM-KH; solvation effect on conformational equilibria, tautomerization energies, and activation barriers D Casanova, S Gusarov, A Kovalenko, T Ziegler Journal of Chemical Theory and Computation 3 (2), 458-476, 2007 | 85 | 2007 |
| Theoretical modeling of zeolite nanoparticle surface acidity for heavy oil upgrading SR Stoyanov, S Gusarov, SM Kuznicki, A Kovalenko The Journal of Physical Chemistry C 112 (17), 6794-6810, 2008 | 82 | 2008 |
| Kollman PA DA Case, TA Darden, ITE Cheatham, CL Simmerling, J Wang, RE Duke, ... Amber, 2018 | 76 | 2018 |
David A CaseRutgers UniversityVerified email at biomaps.rutgers.edu
