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- 2023
-
Mark
A numerical study on orientational arrest and size segregation of dense particle flows using discrete element modeling
(2023)
- Thesis › Licentiate thesis
-
Mark
First-Row d6 Metal Complex Enables Photon Upconversion and Initiates Blue Light-Dependent Polymerization with Red Light
- Contribution to journal › Article
- 2022
-
Mark
Combining crystallography with quantum mechanics
Bergmann, Justin LU ; Oksanen, Esko LU and Ryde, Ulf LU
(2022)
In Current Opinion in Structural Biology
72.
p.18-26
- Contribution to journal › Scientific review
-
Mark
The origin of enhanced O2+ production from photoionized CO2 clusters
Ganguly, Smita LU ; Barreiro, Darío ; Walsh, Noelle LU ; Oostenrijk, Bart LU ; Sorensen, Stacey L LU
; Díaz-Tendero, Sergio
and Gisselbrecht, Mathieu
LU
(2022)
In Communications Chemistry
5.
- Contribution to journal › Article
-
Mark
Electron transport via tyrosine-doped oligo-alanine peptide junctions : role of charges and hydrogen bonding
- Contribution to journal › Article
-
Mark
How general is the effect of the bulkiness of organic ligands on the basicity of metal-organic catalysts? H2-evolving Mo oxides/sulphides as case studies
Rovaletti, Anna ; Ryde, Ulf LU
; Moro, Giorgio
; Cosentino, Ugo
and Greco, Claudio
LU
(2022)
In Physical chemistry chemical physics : PCCP
24(48).
p.29471-29479
- Contribution to journal › Article
-
Mark
New relativistic quantum chemical methods for understanding light-induced therapeutics
- Contribution to journal › Scientific review
-
Mark
Unraveling the Reaction Mechanism of Mo/Cu CO Dehydrogenase Using QM/MM Calculations
Ritacca, Alessandra G. ; Rovaletti, Anna ; Moro, Giorgio ; Cosentino, Ugo ; Ryde, Ulf LU
; Sicilia, Emilia
and Greco, Claudio
LU
(2022)
In ACS Catalysis
12(12).
p.7336-7343
- Contribution to journal › Article
-
Mark
Towards a multiconfigurational description of the electronic structure in solids
(2022)
- Thesis › Doctoral thesis (compilation)
-
Mark
Comparison of Grand Canonical and Conventional Molecular Dynamics Simulation Methods for Protein-Bound Water Networks
Ekberg, Vilhelm LU ; L. Samways, Marley ; Misini Ignjatović, Majda LU ; W. Essex, Jonathan and Ryde, Ulf LU
(2022)
In ACS Physical Chemistry Au
2(3).
p.247-259
- Contribution to journal › Article