2024
Synthesis and Properties of Azahomocorannulenyl Cations and Radicals, Yosuke Hamamoto, Kotaro Ochiai, Yongxin Li, Enrico Tapavicza, Shingo Ito, Angew. Chem. Int. Ed. e202319022, (2024).
Molecular dynamics simulation of apolipoprotein E3 lipid nanodiscs, Patrick Allen, Adam C. Smith, Vernon Benedicto, Abbas Abdulhasan, Vasanthy Narayanaswami, Enrico Tapavicza, BBA – Biomembranes 1866, 184230 (2024).
2023
TURBOMOLE: Today and Tomorrow, Y. J. Franzke, C. Holzer, J. H. Andersen, T. Begušić, F. Bruder, S. Coriani, F. Della Sala, E. Fabiano, D. A. Fedotov, S. Fürst, S. Gillhuber, R. Grotjahn, M. Kaupp, M. Kehry, M. Krstić, F. Mack, S. Majumdar, B. D. Nguyen, S. M. Parker, F. Pauly, A. Pausch, E. Perlt, G.S. Phun, A. Rajabi, D. Rappoport, B. Samal, T. Schrader, M. Sharma, E. Tapavicza, R. S. Treß, V. Voora, A. Wodyński, J. M. Yu, B. Zerulla, F. Furche, C. Hättig, M. Sierka, D. P. Tew, F. Weigend, J. Chem. Theory Comput. (2023).
Ab initio simulation of time-resolved circular dichroism spectra of provitamin D ring-opening, E. Tapavicza, T. Reutershan, T. Thompson, J. Phys. Chem. Lett. (2023).
2022
2021
2020
2019
2018
Tuning the photoreactivity of Z-hexatriene photoswitches by substituents – a non-adiabatic molecular dynamics study, Enrico Tapavicza, Travis Thompson, Kenneth Redd, Dan Kim, Phys. Chem. Chem. Phys. 20, 24807, (2018).
First-Principles Prediction of Wavelength-Dependent Product Quantum Yields, Travis Thompson, Enrico Tapavicza, J. Phys. Chem. Lett. 9, 16, 4758-4764, (2018).
2017
2016
Importance of Vibronic Effects in the UV–Vis Spectrum of the 7,7,8,8 Tetracyanoquinodimethane Anion, E. Tapavicza, F. Furche, and D. Sundholm, J. Chem. Theory Comput., 12 (10), pp 5058–5066 (2016).
That Little Extra Kick: Nonadiabatic Effects in Acetaldehyde Photodissociation, J. C. Vincent, M. Muuronen, K. C. Pearce, L. N. Mohanam, E. Tapavicza, and F. Furche, J. Phys. Chem. Lett., 7 (20), pp 4185–4190 (2016).
2015
2013- 2005