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- 2020
-
Mark
Near-visible-light-driven noble metal-free of reduced graphene oxide nanosheets over CeO2 nanowires for hydrogen production
Liu, Fang ; Wang, Xinhong ; Zhang, Linus LU
; Persson, Kenneth M.
LU
; Chen, Bor Yann
; Hsu, Yang
and Chang, Chang Tang
(2020)
In Journal of the Taiwan Institute of Chemical Engineers
107.
p.139-151
- Contribution to journal › Article
- 2019
-
Mark
Theoretical insights into the aerobic hydrogenase activity of molybdenum-copper CO dehydrogenase
Rovaletti, Anna ; Bruschi, Maurizio ; Moro, Giorgio ; Cosentino, Ugo ; Greco, Claudio LU and Ryde, Ulf LU
(2019)
In Inorganics
7(11).
- Contribution to journal › Article
-
Mark
Single-Phase Borophene on Ir(111) : Formation, Structure, and Decoupling from the Support
Vinogradov, Nikolay A. LU
; Lyalin, Andrey
; Taketsugu, Tetsuya
; Vinogradov, Alexander S.
and Preobrajenski, Alexei
LU
(2019)
In ACS Nano
13(12).
p.14511-14518
- Contribution to journal › Article
-
Mark
Experimental and theoretical gas phase electronic structure study of tetrakis(dimethylamino) complexes of Ti(IV) and Hf(IV)
Shayesteh, Payam LU ; Tsyshevsky, Roman ; Urpelainen, Samuli LU ; Rochet, François ; Bournel, Fabrice ; Gallet, Jean Jaques ; Kuklja, Maija M. ; Schnadt, Joachim LU
and Head, Ashley R.
LU
(2019)
In Journal of Electron Spectroscopy and Related Phenomena
234.
p.80-85
- Contribution to journal › Article
-
Mark
Structure dependent effect of silicon on the oxidation of Al(111) and Al(100)
- Contribution to journal › Article
- 2018
-
Mark
Recent progress in first-principles methods for computing the electronic structure of correlated materials
- Contribution to journal › Scientific review
-
Mark
Theoretical perspectives on ultrafast and non-linear spectroscopy
(2018)
- Thesis › Doctoral thesis (compilation)
-
Mark
Reaction mechanism of formate dehydrogenase studied by computational methods
Dong, Geng LU and Ryde, Ulf LU
(2018)
In Journal of Biological Inorganic Chemistry
23(8).
p.1243-1254
- Contribution to journal › Article
-
Mark
Binding free energies in the SAMPL6 octa-acid host–guest challenge calculated with MM and QM methods
Caldararu, Octav LU ; Olsson, Martin A. LU ; Misini Ignjatović, Majda LU ; Wang, Meiting and Ryde, Ulf LU
(2018)
In Journal of Computer-Aided Molecular Design
32(10).
p.1027-1046
- Contribution to journal › Article
-
Mark
Insight into the reaction mechanism of lipoyl synthase : a QM/MM study
Dong, Geng LU ; Cao, Lili LU and Ryde, Ulf LU
(2018)
In Journal of Biological Inorganic Chemistry
23(2).
p.221-229
- Contribution to journal › Article