| 1 |
Electric Interfacial Layer of Modified Cellulose Nanocrystals in Aqueous Electrolyte Solution: Predictions by the Molecular Theory of Solvation
Lyubimova O, Stoyanov SR, Gusarov S, Kovalenko A
Langmuir, 31(25), 7106, 2015 |
| 2 |
Computational Study of the Effect of Dispersion Interactions on the Thermochemistry of Aggregation of Fused Polycyclic Aromatic Hydrocarbons as Model Asphaltene Compounds in Solution
da Costa LM, Stoyanov SR, Gusarov S, Seidl PR, Carneiro JWD, Kovalenko A
Journal of Physical Chemistry A, 118(5), 896, 2014 |
| 3 |
Plant Biomass Recalcitrance: Effect of Hemicellulose Composition on Nanoscale Forces that Control Cell Wall Strength
Silveira RL, Stoyanov SR, Gusarov S, Skaf MS, Kovalenko A
Journal of the American Chemical Society, 135(51), 19048, 2013 |
| 4 |
Density Functional Theory Investigation of the Contributions of pi-pi Stacking and Hydrogen-Bonding Interactions to the Aggregation of Model Asphaltene Compounds
da Costa LM, Stoyanov SR, Gusarov S, Tan XL, Gray MR, Stryker JM, Tykwinski R, Carneiro JWD, Seidl PR, Kovalenko A
Energy & Fuels, 26(5), 2727, 2012 |
| 5 |
Modeling Solvatochromic Shifts Using the Orbital-Free Embedding Potential at Statistically Mechanically Averaged Solvent Density
Kaminski JW, Gusarov S, Wesolowski TA, Kovalenko A
Journal of Physical Chemistry A, 114(20), 6082, 2010 |
| 6 |
Computational and Experimental Study of the Structure, Binding Preferences, and Spectroscopy of Nickel(II) and Vanadyl Porphyrins in Petroleum
Stoyanov SR, Yin CX, Gray MR, Stryker JM, Gusarov S, Kovalenko A
Journal of Physical Chemistry B, 114(6), 2180, 2010 |
| 7 |
An MM/3D-RISM Approach for Ligand Binding Affinities
Genheden S, Luchko T, Gusarov S, Kovalenko A, Ryde U
Journal of Physical Chemistry B, 114(25), 8505, 2010 |
| 8 |
Ab Initio Study of Ionic Liquids by KS-DFT/3D-RISM-KH Theory
Malvaldi M, Bruzzone S, Chiappe C, Gusarov S, Kovalenko A
Journal of Physical Chemistry B, 113(11), 3536, 2009 |
| 9 |
Electronic Structure, Binding Energy, and Solvation Structure of the Streptavidin-Biotin Supramolecular Complex: ONIOM and 3D-RISM Study
Li QB, Gusarov S, Evoy S, Kovalenko A
Journal of Physical Chemistry B, 113(29), 9958, 2009 |
| 10 |
Self-consistent combination of the three-dimensional RISM theory of molecular solvation with analytical gradients and the Amsterdam density functional package
Gusarov S, Ziegler T, Kovalenko A
Journal of Physical Chemistry A, 110(18), 6083, 2006 |
