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- 2023
-
Mark
Protonation of Homocitrate and the E1 State of Fe-Nitrogenase Studied by QM/MM Calculations
Jiang, Hao LU
; Lundgren, Kristoffer j. m.
LU
and Ryde, Ulf
LU
(2023)
In Inorganic Chemistry
62(48).
p.19433-19445
- Contribution to journal › Article
-
Mark
Electrical Conductance and Thermopower of β-Substituted Porphyrin Molecular Junctions─Synthesis and Transport
Xu, Hailiang LU ; Fan, Hao LU ; Luan, Yuxuan ; Yan, Shen ; Martin, León ; Miao, Ruijiao ; Pauly, Fabian ; Meyhofer, Edgar ; Reddy, Pramod and Linke, Heiner LU
, et al.
(2023)
In Journal of the American Chemical Society
145(43).
p.23541-23555
- Contribution to journal › Article
-
Mark
Tuning perovskite nanocrystal superlattices for superradiance in the presence of disorder
Nguyen, T. P.Tan ; Tan, Liang Z. and Baranov, Dmitry LU
(2023)
In Journal of Chemical Physics
159(20).
- Contribution to journal › Article
-
Mark
A numerical study on orientational arrest and size segregation of dense particle flows using discrete element modeling
(2023)
- Thesis › Licentiate thesis
-
Mark
Free-Energy Landscape and Rate Estimation of the Aromatic Ring Flips in Basic Pancreatic Trypsin Inhibitors Using Metadynamics
- Contribution to journal › Article
-
Mark
First-Row d6 Metal Complex Enables Photon Upconversion and Initiates Blue Light-Dependent Polymerization with Red Light
- Contribution to journal › Article
-
Mark
Multireference Protonation Energetics of a Dimeric Model of Nitrogenase Iron-Sulfur Clusters
Zhai, Huanchen ; Lee, Seunghoon LU ; Cui, Zhi Hao ; Cao, Lili LU ; Ryde, Ulf LU
and Chan, Garnet Kin Lic
(2023)
In Journal of Physical Chemistry A
127(47).
p.9974-9984
- Contribution to journal › Article
-
Mark
Multiconfigurational Pair-Density Functional Theory Is More Complex than You May Think
Rodrigues, Gabriel L.S. LU ; Scott, Mikael LU and Delcey, Mickael G. LU
(2023)
In Journal of Physical Chemistry A
127(44).
p.9381-9388
- Contribution to journal › Article
-
Mark
Salt Effects on Caffeine across Concentration Regimes
Hervø-Hansen, Stefan LU ; Polák, Jakub LU ; Tomandlová, Markéta ; Dzubiella, Joachim ; Heyda, Jan and Lund, Mikael LU
(2023)
In Journal of Physical Chemistry B
127(48).
p.10253-10265
- Contribution to journal › Article
-
Mark
Exploring the effect of electric field on charge-transfer states at non-fullerene D/A interface
- Contribution to journal › Article