1 – 10 of 955
- show: 10
- |
- sort: year (new to old)
Close
Embed this list
<iframe src=""
width=""
height=""
allowtransparency="true"
frameborder="0">
</iframe>
- 2025
-
Mark
Comparison of renormalized interactions using one-dimensional few-body systems as a testbed
- Contribution to journal › Article
-
Mark
Predicting Reduction Potentials of Blue Copper Proteins Using Quantum Mechanical Calculations
Dehabadi, Maryam Haji ; Irani, Mehdi LU and Ryde, Ulf LU
(2025)
In Inorganic Chemistry
64(8).
p.3917-3929
- Contribution to journal › Article
-
Mark
X-ray-absorption spectrum of O2+
Cornetta, Lucas M. ; Kjellsson, Ludvig ; Couto, Rafael C. ; Ågren, Hans ; Carravetta, Vincenzo ; Sörensen, Stacey L. LU
; Kubin, Markus
; Bülow, Christine
; Zamudio-Bayer, Vicente
and Von Issendorff, Bernd
, et al.
(2025)
In Physical Review A
111(2).
- Contribution to journal › Article
-
Mark
Impact of Varying Velocities and Solvation Boxes on Alchemical Free-Energy Simulations
Wang, Meiting LU ; Jiang, Hao LU
and Ryde, Ulf
LU
(2025)
In Journal of Chemical Information and Modeling
65(4).
p.2107-2115
- Contribution to journal › Article
-
Mark
Quantum refinement in real and reciprocal space
(2025)
- Thesis › Doctoral thesis (compilation)
-
Mark
Reproducibility of QM/MM Calculations for the SARS-CoV-2 Main Protease
Sun, Xiaoli LU and Ryde, Ulf LU
(2025)
In Journal of Chemical Theory and Computation
21(15).
p.7711-7723
- Contribution to journal › Article
-
Mark
Validation of a Coarse-Grained Martini 3 Model for Molecular Oxygen
- Contribution to journal › Article
-
Mark
Universal Framework for Multiconfigurational DFT
- Contribution to journal › Article
-
Mark
Metal preference of glyoxalase II, a quantum mechanics/molecular mechanics study
Shirazi, Javad ; Jafari, Sonia ; Ryde, Ulf LU
and Irani, Mehdi
LU
(2025)
In Dalton Transactions
54(14).
p.5779-5795
- Contribution to journal › Article
-
Mark
Reversible excited state electron transfer in an acceptor-acceptor hetero dyad
- Contribution to journal › Article