| Linear-scaling time-dependent density-functional theory in the linear response formalism TJ Zuehlsdorff, NDM Hine, JS Spencer, NM Harrison, DJ Riley, ... The Journal of chemical physics 139 (6), 064104, 2013 | 60 | 2013 |
| Solvent effects on electronic excitations of an organic chromophore TJ Zuehlsdorff, PD Haynes, F Hanke, MC Payne, NDM Hine Journal of chemical theory and computation 12 (4), 1853-1861, 2016 | 52 | 2016 |
| Predicting solvatochromic shifts and colours of a solvated organic dye: The example of nile red TJ Zuehlsdorff, PD Haynes, MC Payne, NDM Hine The Journal of chemical physics 146 (12), 124504, 2017 | 43 | 2017 |
| Combining the ensemble and Franck-Condon approaches for calculating spectral shapes of molecules in solution TJ Zuehlsdorff, CM Isborn The Journal of chemical physics 148 (2), 024110, 2018 | 40 | 2018 |
| Linear-scaling time-dependent density-functional theory beyond the Tamm-Dancoff approximation: Obtaining efficiency and accuracy with in situ optimised local … TJ Zuehlsdorff, NDM Hine, MC Payne, PD Haynes The Journal of chemical physics 143 (20), 204107, 2015 | 32 | 2015 |
| Modeling absorption spectra of molecules in solution TJ Zuehlsdorff, CM Isborn International Journal of Quantum Chemistry 119 (1), e25719, 2019 | 25 | 2019 |
| Optical spectra in the condensed phase: Capturing anharmonic and vibronic features using dynamic and static approaches TJ Zuehlsdorff, A Montoya-Castillo, JA Napoli, TE Markland, CM Isborn The Journal of chemical physics 151 (7), 074111, 2019 | 19 | 2019 |
| The ONETEP linear-scaling density functional theory program JCA Prentice, J Aarons, JC Womack, AEA Allen, L Andrinopoulos, ... The Journal of chemical physics 152 (17), 174111, 2020 | 18 | 2020 |
| Unraveling electronic absorption spectra using nuclear quantum effects: Photoactive yellow protein and green fluorescent protein chromophores in water TJ Zuehlsdorff, JA Napoli, JM Milanese, TE Markland, CM Isborn The Journal of chemical physics 149 (2), 024107, 2018 | 17 | 2018 |
| Distance dependent photoacoustics revealed through DNA nanostructures J Joseph, KN Baumann, P Koehler, TJ Zuehlsdorff, DJ Cole, J Weber, ... Nanoscale 9 (42), 16193-16199, 2017 | 11* | 2017 |
| Computing the optical properties of large systems TJ Zuehlsdorff Springer, 2015 | 10 | 2015 |
| Identifying and tracing potential energy surfaces of electronic excitations with specific character via their transition origins: application to oxirane JH Li, TJ Zuehlsdorff, MC Payne, NDM Hine Physical Chemistry Chemical Physics 17 (18), 12065-12079, 2015 | 7 | 2015 |
| Influence of electronic polarization on the spectral density TJ Zuehlsdorff, H Hong, L Shi, CM Isborn The Journal of Physical Chemistry B 124 (3), 531-543, 2019 | 6 | 2019 |
| Implicit and explicit host effects on excitons in pentacene derivatives RJ Charlton, RM Fogarty, S Bogatko, TJ Zuehlsdorff, NDM Hine, ... The Journal of chemical physics 148 (10), 104108, 2018 | 6 | 2018 |
| Exploiting machine learning to efficiently predict multidimensional optical spectra in complex environments MS Chen, TJ Zuehlsdorff, T Morawietz, CM Isborn, TE Markland The Journal of Physical Chemistry Letters 11 (18), 7559-7568, 2020 | 5 | 2020 |
| Nonlinear spectroscopy in the condensed phase: The role of Duschinsky rotations and third order cumulant contributions TJ Zuehlsdorff, H Hong, L Shi, CM Isborn The Journal of Chemical Physics 153 (4), 044127, 2020 | 5 | 2020 |
| Effect of ions on the optical absorption spectra of aqueously solvated chromophores SV Shedge, TJ Zuehlsdorff, MJ Servis, AE Clark, CM Isborn The Journal of Physical Chemistry A 123 (29), 6175-6184, 2019 | 5 | 2019 |
| Vibronic and Environmental Effects in Simulations of Optical Spectroscopy TJ Zuehlsdorff, SV Shedge, SY Lu, H Hong, VP Aguirre, L Shi, CM Isborn Annual Review of Physical Chemistry 72, 0 | 1 | |
| Explicit environmental and vibronic effects in simulations of linear and nonlinear optical spectroscopy SV Shedge, TJ Zuehlsdorff, A Khanna, S Conley, CM Isborn The Journal of Chemical Physics 154 (8), 084116, 2021 | | 2021 |
| New methods for revealing the effects of solvent in optical spectroscopy T Zuehlsdorff, AM Castillo, S Shedge, J Napoli, M Servis, A Clark, L Shi, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
Nicholas D M HineReader, University of WarwickVerified email at warwick.ac.uk
