Structures of the intermediates of Kok’s photosynthetic water oxidation clock J Kern, R Chatterjee, ID Young, FD Fuller, L Lassalle, M Ibrahim, S Gul, ... Nature 563 (7731), 421-425, 2018 | 372 | 2018 |
Structure of photosystem II and substrate binding at room temperature ID Young, M Ibrahim, R Chatterjee, S Gul, FD Fuller, S Koroidov, ... Nature 540 (7633), 453-457, 2016 | 348 | 2016 |
Coupled-cluster response theory for near-edge x-ray-absorption fine structure of atoms and molecules S Coriani, O Christiansen, T Fransson, P Norman Physical Review A 85 (2), 022507, 2012 | 167 | 2012 |
X-ray and electron spectroscopy of water T Fransson, Y Harada, N Kosugi, NA Besley, B Winter, JJ Rehr, ... Chemical reviews 116 (13), 7551-7569, 2016 | 159 | 2016 |
Drop-on-demand sample delivery for studying biocatalysts in action at X-ray free-electron lasers FD Fuller, S Gul, R Chatterjee, ES Burgie, ID Young, H Lebrette, ... Nature methods 14 (4), 443-449, 2017 | 155 | 2017 |
Asymmetric-Lanczos-chain-driven implementation of electronic resonance convergent coupled-cluster linear response theory S Coriani, T Fransson, O Christiansen, P Norman Journal of chemical theory and computation 8 (5), 1616-1628, 2012 | 122 | 2012 |
Untangling the sequence of events during the S2→ S3 transition in photosystem II and implications for the water oxidation mechanism M Ibrahim, T Fransson, R Chatterjee, MH Cheah, R Hussein, L Lassalle, ... Proceedings of the National Academy of Sciences 117 (23), 12624-12635, 2020 | 112 | 2020 |
Carbon X-ray absorption spectra of fluoroethenes and acetone: A study at the coupled cluster, density functional, and static-exchange levels of theory T Fransson, S Coriani, O Christiansen, P Norman The Journal of Chemical Physics 138 (12), 124311, 2013 | 67 | 2013 |
Stimulated x-ray emission spectroscopy in transition metal complexes T Kroll, C Weninger, R Alonso-Mori, D Sokaras, D Zhu, L Mercadier, ... Physical review letters 120 (13), 133203, 2018 | 54 | 2018 |
adcc: A versatile toolkit for rapid development of algebraic‐diagrammatic construction methods MF Herbst, M Scheurer, T Fransson, DR Rehn, A Dreuw Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (6), e1462, 2020 | 34 | 2020 |
X-ray Emission Spectroscopy as an in Situ Diagnostic Tool for X-ray Crystallography of Metalloproteins Using an X-ray Free-Electron Laser T Fransson, R Chatterjee, FD Fuller, S Gul, C Weninger, D Sokaras, ... Biochemistry 57 (31), 4629-4637, 2018 | 34 | 2018 |
Requirements of first-principles calculations of X-ray absorption spectra of liquid water T Fransson, I Zhovtobriukh, S Coriani, KT Wikfeldt, P Norman, ... Physical Chemistry Chemical Physics 18 (1), 566-583, 2016 | 34 | 2016 |
High-resolution XFEL structure of the soluble methane monooxygenase hydroxylase complex with its regulatory component at ambient temperature in two oxidation states V Srinivas, R Banerjee, H Lebrette, JC Jones, O Aurelius, IS Kim, ... Journal of the American Chemical Society 142 (33), 14249-14266, 2020 | 32 | 2020 |
Relationship between x-ray emission and absorption spectroscopy and the local H-bond environment in water I Zhovtobriukh, NA Besley, T Fransson, A Nilsson, LGM Pettersson The Journal of Chemical Physics 148 (14), 144507, 2018 | 32 | 2018 |
Static polarizabilities and C6 dispersion coefficients using the algebraic-diagrammatic construction scheme for the complex polarization propagator T Fransson, DR Rehn, A Dreuw, P Norman The Journal of Chemical Physics 146 (9), 094301, 2017 | 30 | 2017 |
K-and L-edge X-ray absorption spectrum calculations of closed-shell carbon, silicon, germanium, and sulfur compounds using damped four-component density functional response theory T Fransson, D Burdakova, P Norman Physical Chemistry Chemical Physics 18 (19), 13591-13603, 2016 | 30 | 2016 |
XABOOM: An X-ray absorption benchmark of organic molecules based on carbon, nitrogen, and oxygen 1s→ π* transitions T Fransson, IE Brumboiu, ML Vidal, P Norman, S Coriani, A Dreuw Journal of Chemical Theory and Computation 17 (3), 1618-1637, 2021 | 26 | 2021 |
Simulating X-ray emission spectroscopy with algebraic diagrammatic construction schemes for the polarization propagator T Fransson, A Dreuw Journal of chemical theory and computation 15 (1), 546-556, 2018 | 23 | 2018 |
Quantifying the error of the core–valence separation approximation MF Herbst, T Fransson The Journal of Chemical Physics 153 (5), 054114, 2020 | 22 | 2020 |
X-ray free-electron laser studies reveal correlated motion during isopenicillin N synthase catalysis P Rabe, JJAG Kamps, KD Sutherlin, JDS Linyard, P Aller, CC Pham, ... Science advances 7 (34), eabh0250, 2021 | 13 | 2021 |