| Automatic proposal of multistep reaction mechanisms using a graph-driven search I Ismail, HBVA Stuttaford-Fowler, C Ochan Ashok, C Robertson, ... The Journal of Physical Chemistry A 123 (15), 3407-3417, 2019 | 39 | 2019 |
| Improved on-the-fly MCTDH simulations with many-body-potential tensor decomposition and projection diabatization GW Richings, C Robertson, S Habershon Journal of Chemical Theory and Computation 15 (2), 857-870, 2018 | 32 | 2018 |
| Fast screening of homogeneous catalysis mechanisms using graph-driven searches and approximate quantum chemistry C Robertson, S Habershon Catalysis Science & Technology 9 (22), 6357-6369, 2019 | 25 | 2019 |
| Successes and challenges in using machine-learned activation energies in kinetic simulations I Ismail, C Robertson, S Habershon The Journal of Chemical Physics 157 (1), 2022 | 18 | 2022 |
| Traversing dense networks of elementary chemical reactions to predict minimum‐energy reaction mechanisms C Robertson, I Ismail, S Habershon ChemSystemsChem 2 (4), e1900047, 2020 | 14 | 2020 |
| Can we use on-the-fly quantum simulations to connect molecular structure and sunscreen action? GW Richings, C Robertson, S Habershon Faraday Discussions 216, 476-493, 2019 | 12 | 2019 |
| Identifying barrierless mechanisms for benzene formation in the interstellar medium using permutationally invariant reaction discovery C Robertson, R Hyland, AJD Lacey, S Havens, S Habershon Journal of Chemical Theory and Computation 17 (4), 2307-2322, 2021 | 10 | 2021 |
| Nonadiabatic scattering of NO off Au3 clusters: A simple and robust diabatic state manifold generation method for multiconfigurational wavefunctions C Robertson, J González‐Vázquez, I Corral, S Díaz‐Tendero, C Díaz Journal of Computational Chemistry 40 (6), 794-810, 2019 | 9 | 2019 |
| Generating symmetry-adapted bases for non-Abelian point groups to be used in vibronic coupling Hamiltonians C Robertson, GA Worth Chemical Physics 460, 125-134, 2015 | 8 | 2015 |
| Modelling the non-radiative singlet excited state isomerization of diphenyl-acetylene: A vibronic coupling model C Robertson, GA Worth Chemical Physics 510, 17-29, 2018 | 7 | 2018 |
| Simple position and orientation preconditioning scheme for minimum energy path calculations C Robertson, S Habershon Journal of Computational Chemistry 42 (11), 761-770, 2021 | 4 | 2021 |
| Harmonic-phase path-integral approximation of thermal quantum correlation functions C Robertson, S Habershon The Journal of Chemical Physics 148 (10), 2018 | 4 | 2018 |
| Modelling the vibrationally mediated photo-dissociation of acetylene C Robertson, GA Worth Physical Chemistry Chemical Physics 19 (43), 29483-29497, 2017 | 3 | 2017 |
| Assessing and rationalizing the performance of Hessian update schemes for reaction path Hamiltonian rate calculations R Chantreau Majerus, C Robertson, S Habershon The Journal of Chemical Physics 155 (20), 2021 | 2 | 2021 |
| Structural dynamics around a hydrogen bond: Investigating the effect of hydrogen bond strengths on the excited state dynamics of carboxylic acid dimers E Plackett, C Robertson, A De Matos Loja, H McGhee, G Karras, ... The Journal of Chemical Physics 160 (12), 2024 | | 2024 |
| Correction: Velocity map images from surface-hopping; reactive scattering of OH (2 Σ+)+ H 2 (1 Σ+ g) C Robertson, MJ Paterson Chemical Communications 60 (6), 766-766, 2024 | | 2024 |
| Dataset supporting the University of Southampton Doctoral Thesis" Studies into the Effects of Hydrogen-Bonding on Excited State Dynamics". E Plackett, R Minns, H McGee, R Ingle, G Karras, I Sazanovic, ... University of Southampton, 2023 | | 2023 |
| Velocity Map Images from Surface-Hopping: Reactive Scattering Trajectories for OH (2Σ)+ H2 C Robertson, MJ Paterson Chemical Communications, 2022 | | 2022 |
| Data for Successes and challenges in using machine-learned activation energies in kinetic simulations I Ismail, C Robertson, S Habershon University of Warwick, Department of Chemistry, 2022 | | 2022 |
| Velocity map images from surface-hopping; reactive scattering of OH (2 Σ+)+ H 2 (1 Σ+ g) C Robertson, MJ Paterson Chemical Communications 58 (65), 9092-9095, 2022 | | 2022 |
