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Sergey Gusarov
Sergey Gusarov
National Institute for Nanotechnology
Verified email at nrc-cnrc.gc.ca - Homepage
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Cited by
Year
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
555*2010
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
4632014
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
2902010
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
2452011
The FF14SB force field
DA Case, V Babin, JT Berryman, RM Betz, Q Cai, DS Cerutti, ...
Amber 14, 29-31, 2014
2442014
ADF2017, SCM, Theoretical Chemistry
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...
Vrije Universiteit, 2017
2302017
ADF2017
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...
SCM, Theoretical Chemistry, 2017
1972017
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
1682010
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
1362013
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
1222012
AMBER, version 11
DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ...
University of California, San Francisco, 1-300, 2010
1202010
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
1172006
AMBER 14. 2014
DA Case, V Babin, J Berryman, RM Betz, Q Cai, DS Cerutti, ...
University of California, San Francisco, 2014
1122014
Single-side-hydrogenated graphene: Density functional theory predictions
BS Pujari, S Gusarov, M Brett, A Kovalenko
Physical Review B 84 (4), 041402, 2011
1122011
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
1062010
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
1012020
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
992010
Theoretical Chemistry
EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ...
Vrije Universiteit, Amsterdam, The Netherlands https://www. scm. com, 2014
982014
ADF2017, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands, 2017
EJ Baerends, T Ziegler, AJ Atkins, J Autschbach, D Bashford, O Baseggio, ...
Google Scholar There is no corresponding record for this reference, 0
94
SCM, theoretical chemistry
EJ Baerends, T Ziegler, J Autschbach, D Bashford, A Bérces, ...
ADF2012 1, 2013
922013
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