Computational Chemistry

171 – 180 of 1124

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
…
17
18
19
20
…
113
next »

2021
Mark Design of robust 2,2′-bipyridine ligand linkers for the stable immobilization of molecular catalysts on silicon(111) surfaces
Johnson, Samantha ; Blakemore, James D. ; Brunschwig, Bruce S. ; Lewis, Nathan S. ; Gray, Harry B. ; Goddard, William A., III and Persson, Petter ^LU (2021) In Physical Chemistry Chemical Physics 23(16). p.9921-9929
- Contribution to journal › Article
Mark Polymer-Like Self-Assembled Structures from Particles with Isotropic Interactions : Dependence upon the Range of the Attraction
Haddadi, Sara ^LU ; Lu, Hongduo ^LU ; Bäcklund, Marcus ; Woodward, Clifford E. and Forsman, Jan ^LU (2021) In Langmuir 37. p.6052-6061
- Contribution to journal › Article
Mark Entropy–Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C
Wallerstein, Johan ^LU ; Ekberg, Vilhelm ^LU ; Misini Ignjatović, Majda ^LU ; Kumar, Rohit ^LU ; Caldararu, Octav ^LU ; Peterson, Kristoffer ^LU ; Wernersson, Sven ^LU ; Brath, Ulrika ^LU ; Leffler, Hakon ^LU and Oksanen, Esko ^LU , et al. (2021) In Journal of the American Chemical Society 1(4). p.484-500
- Contribution to journal › Article
Mark QM/MM Study of the Catalytic Reaction of Myrosinase; Importance of Assigning Proper Protonation States of Active-Site Residues
Jafari, Sonia ; Ryde, Ulf ^LU and Irani, Mehdi ^LU (2021) In Journal of Chemical Theory and Computation 17(3). p.1822-1841
- Contribution to journal › Article
Mark Confinement-induced fluid-fluid phase transitions in simple fluid mixtures, under bulk supra-critical conditions
Haddadi, Sara ^LU ; Woodward, Clifford E. and Forsman, Jan ^LU (2021) In Fluid Phase Equilibria 540.
- Contribution to journal › Article
Mark Structural transitions at electrodes, immersed in simple ionic liquid models
Lu, Hongduo ^LU ; Stenberg, Samuel ^LU ; Woodward, Clifford E. and Forsman, Jan ^LU (2021) In Soft Matter 17(14). p.3876-3885
- Contribution to journal › Article
Mark Quantum-refinement studies of the bidentate ligand of V‑nitrogenase and the protonation state of CO-inhibited Mo‑nitrogenase
Bergmann, Justin ^LU ; Oksanen, Esko ^LU and Ryde, Ulf ^LU (2021) In Journal of Inorganic Biochemistry 219.
- Contribution to journal › Article
Mark Direct Evidence for Reaction between Cellulose and CO₂from Nuclear Magnetic Resonance
Gunnarsson, Maria ^LU ; Bernin, Diana ; Hasani, Merima ; Lund, Mikael ^LU and Bialik, Erik ^LU (2021) In ACS Sustainable Chemistry and Engineering 9(42). p.14006-14011
- Contribution to journal › Article
Mark Charge Regulation during Amyloid Formation of α-Synuclein
Pálmadóttir, Tinna ^LU ; Malmendal, Anders ^LU ; Leiding, Thom ^LU ; Lund, Mikael ^LU and Linse, Sara ^LU (2021) In Journal of the American Chemical Society 143(20). p.7777-7791
- Contribution to journal › Article
Mark Resonant X-ray photo-oxidation of light-harvesting iron (II/III) N-heterocyclic carbene complexes
Temperton, Robert H. ^LU ; Guo, Meiyuan ^LU ; D’Acunto, Giulio ^LU ; Johansson, Niclas ^LU ; Rosemann, Nils W. ^LU ; Prakash, Om ^LU ; Wärnmark, Kenneth ^LU ; Schnadt, Joachim ^LU ; Uhlig, Jens ^LU and Persson, Petter ^LU (2021) In Scientific Reports 11(1).
- Contribution to journal › Article

« previous
1
…
17
18
19
20
…
113
next »