Theoretical Chemistry
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- 2020
- Hot Branching Dynamics in a Light-Harvesting Iron Carbene Complex Revealed by Ultrafast X-ray Emission Spectroscopy
-
Importance of the iron–sulfur component and of the siroheme modification in the resting state of sulfite reductase
Brânzanic, Adrian M.V. ; Ryde, Ulf LU
and
Silaghi-Dumitrescu, Radu
(2020)
In Journal of Inorganic Biochemistry
203.
Mark
- N2H2 binding to the nitrogenase FeMo cluster studied by QM/MM methods
- Adsorption of Fibrinogen on Silica Surfaces-The Effect of Attached Nanoparticles
-
Photophysics and photochemistry of iron carbene complexes for solar energy conversion and photocatalysis
Lindh, Linnea LU
;
Chábera, Pavel
LU
;
Rosemann, Nils W.
LU
;
Uhlig, Jens
LU
;
Wärnmark, Kenneth
LU
;
Yartsev, Arkady
LU
;
Sundström, Villy
LU
and
Persson, Petter
LU
(2020)
In Catalysts
10(3).
Mark
-
FragHAR : Towards ab initio quantum-crystallographic X-ray structure refinement for polypeptides and proteins
Justin, Bergmann LU ; Davidson, Max ; Oksanen, Esko LU ; Ryde, Ulf LU
and
Jayatilaka, Dylan
(2020)
In IUCrJ
7(2).
p.158-165
Mark
-
Site-Selective Orbital Interactions in an Ultrathin Iron-Carbene Photosensitizer Film
Temperton, Robert H. ; Rosemann, Nils W. LU ; Guo, Meiyuan ; Johansson, Niclas LU ; Fredin, Lisa A. LU ; Prakash, Om LU ; Wärnmark, Kenneth LU ; Handrup, Karsten LU ; Uhlig, Jens LU and Schnadt, Joachim LU
, et al.
(2020)
In Journal of Physical Chemistry A
124(8).
p.1603-1609
Mark
- Interactions in aqueous salt solutions : Atomistic modelling versus experiment
- Computational Studies of Nitrogenase
- Unifying viscous and inertial regimes of discontinuous shear thickening suspensions