Thomas Fransson
Thomas Fransson
Patvirtintas el. paštas
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
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
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
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
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
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—Atomic, Molecular, and Optical Physics 85 (2), 022507, 2012
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
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), 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
Structural evidence for intermediates during O2 formation in photosystem II
A Bhowmick, R Hussein, I Bogacz, PS Simon, M Ibrahim, R Chatterjee, ...
Nature 617 (7961), 629-636, 2023
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
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
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
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
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), 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
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
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
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), 2017
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
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Straipsniai 1–20