| Deep eutectic solvents: A review of fundamentals and applications BB Hansen, S Spittle, B Chen, D Poe, Y Zhang, JM Klein, A Horton, ... Chemical reviews 121 (3), 1232-1285, 2020 | 1757 | 2020 |
| Revisiting OPLS force field parameters for ionic liquid simulations B Doherty, X Zhong, S Gathiaka, B Li, O Acevedo Journal of chemical theory and computation 13 (12), 6131-6145, 2017 | 387 | 2017 |
| OPLS force field for choline chloride-based deep eutectic solvents B Doherty, O Acevedo The Journal of Physical Chemistry B 122 (43), 9982-9993, 2018 | 168 | 2018 |
| Liquid structure and transport properties of the deep eutectic solvent ethaline Y Zhang, D Poe, L Heroux, H Squire, BW Doherty, Z Long, M Dadmun, ... The Journal of Physical Chemistry B 124 (25), 5251-5264, 2020 | 106 | 2020 |
| Evolution of microscopic heterogeneity and dynamics in choline chloride-based deep eutectic solvents S Spittle, D Poe, B Doherty, C Kolodziej, L Heroux, MA Haque, H Squire, ... Nature communications 13 (1), 219, 2022 | 62 | 2022 |
| Virtual site OPLS force field for imidazolium-based ionic liquids B Doherty, X Zhong, O Acevedo The Journal of Physical Chemistry B 122 (11), 2962-2974, 2018 | 54 | 2018 |
| Examining ionic liquid effects on mononuclear rearrangement of heterocycles using QM/MM simulations C Allen, R Ghebreab, B Doherty, B Li, O Acevedo The Journal of Physical Chemistry B 120 (41), 10786-10796, 2016 | 16 | 2016 |
| Accurate Diels-Alder Energies and Endo Selectivity in Ionic Liquids Using the OPLS-VSIL Force Field C Velez, B Doherty, O Acevedo International journal of molecular sciences 21 (4), 1190, 2020 | 15 | 2020 |
| Tailoring Electrochemical CO2 Reduction on Copper by Reactive Ionic Liquid and Native Hydrogen Bond Donors OK Coskun, S Dongare, B Doherty, A Klemm, M Tuckerman, B Gurkan Angewandte Chemie 136 (1), e202312163, 2024 | 8 | 2024 |
| Comparison between ab initio molecular dynamics and OPLS-based force fields for ionic liquid solvent organization K Yue, B Doherty, O Acevedo The Journal of Physical Chemistry B 126 (21), 3908-3919, 2022 | 8 | 2022 |
| Molecular simulations of deep eutectic solvents: A perspective on structure, dynamics, and physical properties SJ Rukmani, BW Doherty, O Acevedo, CM Colina Reviews in Computational Chemistry, Volume 32, 135-216, 2022 | 5 | 2022 |
| Development of OPLS-AA force field parameters for ionic liquid and deep eutectic solvent simulations B Doherty, O Acevedo ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | 1 | 2019 |
| OPLS-AA force field parameters for ionic liquid molecular dynamic simulations B Doherty, X Zhong, O Acevedo ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017 | 1 | 2017 |
| Titelbild: Tailoring Electrochemical CO2 Reduction on Copper by Reactive Ionic Liquid and Native Hydrogen Bond Donors (Angew. Chem. 1/2024) OK Coskun, S Dongare, B Doherty, A Klemm, M Tuckerman, B Gurkan Angewandte Chemie 136 (1), e202317231, 2024 | | 2024 |
| Cover Picture: Tailoring Electrochemical CO2 Reduction on Copper by Reactive Ionic Liquid and Native Hydrogen Bond Donors (Angew. Chem. Int. Ed. 1/2024) OK Coskun, S Dongare, B Doherty, A Klemm, M Tuckerman, B Gurkan Angewandte Chemie International Edition 63 (1), e202317231, 2024 | | 2024 |
| Simulating ionic liquids: Force field development and applications O Acevedo, B Doherty, X Zhong ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
| Development of Computational Tools for the Study of Ionic Liquids and Deep Eutectic Solvents B Doherty University of Miami, 2019 | | 2019 |
| OPLS-AA force field parameters for dicationic imidazolium-based ionic liquid simulations X Zhong, B Doherty, O Acevedo ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017 | | 2017 |
| Ionic liquid OPLS-AA force field parameters for imidazolium-based simulations O Acevedo, B Doherty, X Zhong ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 254, 2017 | | 2017 |
| Development of ionic liquid OPLS-AA force field parameters for use in molecular dynamics and Monte Carlo simulations O Acevedo, B Doherty ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016 | | 2016 |
