Sergey Gusarov
Sergey Gusarov
National Institute for Nanotechnology
Verified email at nrc-cnrc.gc.ca - Homepage
Title
Cited by
Cited by
Year
Amber 14
DA Case, V Babin, J Berryman, RM Betz, Q Cai, DS Cerutti, ...
University of California, 2014
6554*2014
AMBER 12; University of California: San Francisco, 2012
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
There is no corresponding record for this reference.[Google Scholar], 1-826, 2010
8672010
ADF2013, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands
EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ...
URL: http://www. scm. com, 2014
2752014
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
2072010
SCM, theoretical chemistry
EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ...
ADF2012 1, 2013
2062013
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
1762011
The FF14SB force field
DA Case, V Babin, JT Berryman, RM Betz, Q Cai, DS Cerutti, ...
Amber 14, 29-31, 2014
1492014
ADF2017
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...
SCM, Theoretical Chemistry, 2017
1242017
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
1232010
AMBER 12
J Wang, RE Duke, R Luo, RC Walker, W Zhang, KM Merz, B Roberts, ...
University of California: San Francisco, 2012
1092012
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
922013
Amber Tools 1.5
DA Case, T Darden, TE Cheatham III, C Simmerling, J Wang, R Duke, ...
Amber, 2010
842010
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
832010
Single-side-hydrogenated graphene: Density functional theory predictions
BS Pujari, S Gusarov, M Brett, A Kovalenko
Physical Review B 84 (4), 041402, 2011
822011
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
822006
AMBER 14, 2014
DA Case, V Babin, J Berryman, RM Betz, Q Cai, DS Cerutti, ...
University of California, San Francisco, 2014
792014
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
792010
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
702012
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
682007
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
662008
The system can't perform the operation now. Try again later.
Articles 1–20