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- 2024
-
Mark
Cluster Formation Induced by Local Dielectric Saturation in Restricted Primitive Model Electrolytes
Ribar, David LU
; Woodward, Clifford E.
; Nordholm, Sture
and Forsman, Jan
LU
(2024)
In The Journal of Physical Chemistry Letters
15(32).
p.8326-8333
- Contribution to journal › Article
-
Mark
Aβ Oligomer Dissociation Is Catalyzed by Fibril Surfaces
Dear, Alexander J. LU ; Thacker, Dev LU ; Wennmalm, Stefan ; Ortigosa-Pascual, Lei LU
; Andrzejewska, Ewa A.
LU
; Meisl, Georg
; Linse, Sara
LU
and Knowles, Tuomas P. J.
(2024)
In ACS Chemical Neuroscience
15(11).
p.2296-2307
- Contribution to journal › Article
-
Mark
Perspective: multi-configurational methods in bio-inorganic chemistry
Jørgensen, Frederik K. ; Delcey, Mickaël G. LU
and Hedegård, Erik D.
LU
(2024)
In Physical Chemistry Chemical Physics
26(25).
p.17443-17455
- Contribution to journal › Scientific review
-
Mark
QM/MM Studies of Nitrogenase
Jiang, Hao LU
(2024)
- Thesis › Doctoral thesis (compilation)
-
Mark
Using Iron L-Edge and Nitrogen K-Edge X-ray Absorption Spectroscopy to Improve the Understanding of the Electronic Structure of Iron Carbene Complexes
- Contribution to journal › Article
-
Mark
Collective wavefunction of Yrast states in 50Cr
Idini, A. LU
; Ljungberg, J.
LU
; Boström, J.
LU
and Carlsson, B. G.
LU
(2024)
In Nuovo Cimento della Societa Italiana di Fisica C
47(2).
- Contribution to journal › Article
-
Mark
Nonadiabatic Charge Transfer within Photoexcited Nickel Porphyrins
Naumova, Maria A. ; Paveliuc, Gheorghe ; Biednov, Mykola ; Kubicek, Katharina ; Kalinko, Aleksandr ; Meng, Jie LU ; Liang, Mingli LU ; Rahaman, Ahibur LU ; Abdellah, Mohamed and Checchia, Stefano LU
, et al.
(2024)
In Journal of Physical Chemistry Letters
15(13).
p.3627-3638
- Contribution to journal › Article
-
Mark
Convergence criteria for single-step free-energy calculations : the relation between the Π bias measure and the sample variance
- Contribution to journal › Article
-
Mark
Scalar Relativistic All-Electron and Pseudopotential Ab Initio Study of a Minimal Nitrogenase [Fe(SH)4H]− Model Employing Coupled-Cluster and Auxiliary-Field Quantum Monte Carlo Many-Body Methods
Vysotskiy, Victor P. LU ; Filippi, Claudia and Ryde, Ulf LU
(2024)
In Journal of Physical Chemistry A
128(7).
p.1358-1374
- Contribution to journal › Article
-
Mark
Variational Pair-Density Functional Theory : Dealing with Strong Correlation at the Protein Scale
Scott, Mikael LU ; Rodrigues, Gabriel L.S. LU ; Li, Xin and Delcey, Mickael G. LU
(2024)
In Journal of Chemical Theory and Computation
20(6).
- Contribution to journal › Article