| Automatic mechanism and kinetic model generation for gas‐and solution‐phase processes: a perspective on best practices, recent advances, and future challenges R Van de Vijver, NM Vandewiele, PL Bhoorasingh, BL Slakman, ... International Journal of Chemical Kinetics 47 (4), 199-231, 2015 | 129 | 2015 |
| Automated transition state theory calculations for high-throughput kinetics PL Bhoorasingh, BL Slakman, F Seyedzadeh Khanshan, JY Cain, ... The Journal of Physical Chemistry A 121 (37), 6896-6904, 2017 | 74 | 2017 |
| Transition state geometry prediction using molecular group contributions PL Bhoorasingh, RH West Physical Chemistry Chemical Physics 17 (48), 32173-32182, 2015 | 61 | 2015 |
| Automated calculation of reaction kinetics via transition state theory PL Bhoorasingh | 1 | 2016 |
| Automatic mechanism and kinetic model generation: a perspective on best practices, recent advances, and future challenges R Van de Vijver, N Vandewiele, PL Bhoorasingh, BL Slakman, ... International Journal of Chemical Kinetics 47 (4), 199-231, 2015 | 1 | 2015 |
| Developing group contributions for predicting transition state structures P Bhoorasingh, R West ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 250, 2015 | | 2015 |
| Automatic Transition State Searches for On-The-Fly Kinetic Calculations PL Bhoorasingh, RH West | | |
