Computational Chemistry

1 – 10 of 1147

show: 10
|
sort: year (new to old)

News feed Embed this list Save this search Mark all Export

Cancel

Embed this list

copy and paste the html snippet below into your own page:

<iframe src="https://lup.lub.lu.se/search/organization/v1000659?embed=1&amp;hide_pagination=1&amp;hide_info=1&amp;hide_options=1"
  width="100%"
  height="400"
  allowtransparency="true"
  frameborder="0">
</iframe>

« previous
1
2
3
4
…
114
115
next »

2025
Mark Rheology and dynamics of dense particle suspensions in rotary shear flows
Agrawal, Naveen Kumar ; Ge, Zhouyang ; Trulsson, Martin ^LU ; Tammisola, Outi and Brandt, Luca (2025) In Journal of Fluid Mechanics 1018.
- Contribution to journal › Article
Mark Understanding Anomalous Cage-Escape Dynamics in Photoredox Processes Driven by a Fe(III) N-Heterocyclic Carbene Complex
Losada, Iria Bolaño ^LU ; Ryde, Ulf ^LU and Persson, Petter ^LU (2025) In Journal of the American Chemical Society 147(35). p.31509-31520
- Contribution to journal › Article
Mark Minimal structural perturbation of Histatin 5 in crowded environments : Insights from small-angle X-ray scattering, dynamic light scattering, and computer simulations
Fagerberg, Eric ^LU ; Holmqvist, Peter ^LU ; Lenton, Samuel ^LU ; Pernot, Petra and Skepö, Marie ^LU (2025) In Journal of Colloid and Interface Science 700.
- 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 Redefining the Limits of Functional Continuity in the Early Evolution of P-Loop NTPases
Demkiv, Andrey O. ; Toledo-Patiño, Saacnicteh ; Medina-Carmona, Encarnación ; Berg, Andrej ; Pinto, Gaspar P. ; Parracino, Antonietta ; Sanchez-Ruiz, Jose M. ; Hengge, Alvan C. ; Laurino, Paola and Longo, Liam M. , et al. (2025) In Molecular biology and evolution 42(4).
- Contribution to journal › Article
Mark Universal Framework for Multiconfigurational DFT
Delcey, Mickael G. ^LU (2025) In Journal of Chemical Theory and Computation 21(6). p.2952-2960
- Contribution to journal › Article
Mark The mechanism behind the oxidase activity of cellulose-active AA10 lytic polysaccharide monooxygenases
Wieduwilt, Erna K. ; Hagemann, Marlisa M. ^LU ; Ryde, Ulf ^LU and Hedegård, Erik D. ^LU (2025) In Inorganic Chemistry Frontiers 12(18). p.5344-5359
- Contribution to journal › Article
Mark Photoinduced Hydrogen Evolution Catalyzed by Co(II) Complexes of N5-Donor Ligands
Li, Chuanshuai ^LU ; Li, Yong ^LU ; Luo, Yusen ; Michaliszyn, Klaudia ; Bolaño Losada, Iria ^LU ; Hossain, Md Kamal ^LU ; Elantabli, Fatma ^LU ; Guo, Meiyuan ^LU ; Hizbullah, Lintang ^LU and Tocher, Derek A. , et al. (2025) In Chemistry - A European Journal 31(28).
- Contribution to journal › Article
Mark Assessing the interaction between the N-terminal region of the membrane protein magnesium transporter A and a lipid bilayer
Skog, Amanda Eriksson ^LU ; Jones, Nykola C. ; Månsson, Linda K. ^LU ; Morth, Jens Preben ; Vrønning Hoffmann, Søren ; Gerelli, Yuri and Skepö, Marie ^LU (2025) In Journal of Colloid and Interface Science 683. p.663-674
- Contribution to journal › Article
Mark Lysozyme revisited
Oksanen, Esko ^LU (2025) In Structure 33(1). p.6-7
- Contribution to journal › Debate/Note/Editorial

« previous
1
2
3
4
…
114
115
next »