Correlated electron dynamics: How aromaticity can be controlled IS Ulusoy, M Nest Journal of the American Chemical Society 133 (50), 20230-20236, 2011 | 93 | 2011 |
Modifying the nonradiative decay dynamics through conical intersections via collective coupling to a cavity mode IS Ulusoy, JA Gomez, O Vendrell The Journal of Physical Chemistry A 123 (41), 8832-8844, 2019 | 74 | 2019 |
Dynamics and spectroscopy of molecular ensembles in a lossy microcavity IS Ulusoy, O Vendrell The Journal of Chemical Physics 153 (4), 2020 | 59 | 2020 |
The furan microsolvation blind challenge for quantum chemical methods: First steps HC Gottschalk, A Poblotzki, MA Suhm, MM Al-Mogren, J Antony, AA Auer, ... The Journal of Chemical Physics 148 (1), 2018 | 52 | 2018 |
The multi-configuration electron-nuclear dynamics method applied to LiH IS Ulusoy, M Nest The Journal of chemical physics 136 (5), 2012 | 50 | 2012 |
Remarks on the validity of the fixed nuclei approximation in quantum electron dynamics IS Ulusoy, M Nest The Journal of Physical Chemistry A 116 (46), 11107-11110, 2012 | 35 | 2012 |
The first microsolvation step for furans: New experiments and benchmarking strategies HC Gottschalk, A Poblotzki, M Fatima, DA Obenchain, C Pérez, J Antony, ... The Journal of Chemical Physics 152 (16), 2020 | 34 | 2020 |
The role of the CI expansion length in time-dependent studies IS Ulusoy, Z Stewart, AK Wilson The Journal of chemical physics 148 (1), 2018 | 31 | 2018 |
Effects of roaming trajectories on the transition state theory rates of a reduced-dimensional model of ketene isomerization IS Ulusoy, JF Stanton, R Hernandez The Journal of Physical Chemistry A 117 (32), 7553-7560, 2013 | 31 | 2013 |
Fast degenerate correlation-corrected vibrational self-consistent field calculations of the vibrational spectrum of 4-mercaptopyridine I Respondek, DM Benoit The Journal of chemical physics 131 (5), 2009 | 31 | 2009 |
Towards a scalable and accurate quantum approach for describing vibrations of molecule–metal interfaces DM Benoit, B Madebene, I Ulusoy, L Mancera, Y Scribano, S Chulkov Beilstein journal of nanotechnology 2 (1), 427-447, 2011 | 25 | 2011 |
Vibrations of a single adsorbed organic molecule: anharmonicity matters! IS Ulusoy, Y Scribano, DM Benoit, A Tschetschetkin, N Maurer, ... Physical Chemistry Chemical Physics 13 (2), 612-618, 2011 | 22 | 2011 |
Theoretical Studies of Two Key Low-Lying Carbenes of C5H2 Missing in the Laboratory VS Thimmakondu, I Ulusoy, AK Wilson, A Karton The Journal of Physical Chemistry A 123 (30), 6618-6627, 2019 | 20 | 2019 |
Quantum and quasi-classical collisional dynamics of O2–Ar at high temperatures I Ulusoy, D Andrienko, I Boyd, R Hernandez J. Chem. Phys. 144, 234311, 2016 | 20 | 2016 |
Theoretical and experimental investigation of novel iron (II)-based spin crossover compounds I Respondek, L Bressel, P Saalfrank, H Kämpf, A Grohmann Chemical Physics 347 (1-3), 514-522, 2008 | 18 | 2008 |
Coupled electron and nuclear motion in strong laser fields LE Aebersold, IS Ulusoy, AK Wilson Physical Review A 100 (2), 023406, 2019 | 13 | 2019 |
Many-photon excitation of organic molecules in a cavity—Superradiance as a measure of coherence IS Ulusoy, JA Gomez, O Vendrell The Journal of Chemical Physics 153 (24), 2020 | 11 | 2020 |
Slater and Gaussian basis functions and computation of molecular integrals IS Ulusoy, AK Wilson Mathematical physics in theoretical chemistry, 31-61, 2019 | 11 | 2019 |
Revisiting roaming trajectories in ketene isomerization at higher dimensionality IS Ulusoy, R Hernandez Theoretical Chemistry Accounts 133, 1-9, 2014 | 9 | 2014 |
Electron correlation dynamics in atoms and molecules M Nest, M Ludwig, I Ulusoy, T Klamroth, P Saalfrank The Journal of Chemical Physics 138 (16), 2013 | 9 | 2013 |