Publications | Lund University Publications

1 – 10 of 27

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/publication?embed=1&q=keywords+exact+%22quantum+chemistry%22&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
next »

2024
Mark Modeling Photofunctional Transition Metal Complexes
Bolano Losada, Iria ^LU (2024)
- Thesis › Doctoral thesis (compilation)
2019
Mark Refinement of protein structures using a combination of quantum-mechanical calculations with neutron and X-ray crystallographic data
Caldararu, Octav ^LU ; Manzoni, Francesco ^LU ; Oksanen, Esko ^LU ; Logan, Derek T. ^LU and Ryde, Ulf ^LU (2019) In Acta Crystallographica Section D: Structural Biology 75. p.368-380
- Contribution to journal › Article
2018
Mark Uncontracted basis sets for ab initio calculations of muonic atoms and molecules
Ugandi, Mihkel ; Fdez. Galván, Ignacio ; Widmark, Per Olof ^LU and Lindh, Roland ^LU (2018) In International Journal of Quantum Chemistry 118(21).
- Contribution to journal › Article
2016
Mark Molecular and Interfacial Calculations of Iron(II) Light Harvesters
Fredin, Lisa A. ^LU ; Wärnmark, Kenneth ^LU ; Sundström, Villy ^LU and Persson, Petter ^LU (2016) In ChemSusChem 9(7). p.667-675
- Contribution to journal › Article
2015
Mark Computational Predictions of Conjugated Polymer Properties for Photovoltaic Applications
Hedström, Svante ^LU (2015)
- Thesis › Doctoral thesis (compilation)
2014
Mark Coupled-Cluster Interaction Energies for 200-Atom Host-Guest Systems
Andrejic, Milica ; Ryde, Ulf ^LU ; Mata, Ricardo A. and Söderhjelm, Pär ^LU (2014) In ChemPhysChem 15(15). p.3270-3281
- Contribution to journal › Article
2009
Mark Influence of the [2Fe](H) Subcluster Environment on the Properties of Key Intermediates in the Catalytic Cycle of [FeFe] Hydrogenases: Hints for the Rational Design of Synthetic Catalysts
Bruschi, Maurizio ; Greco, Claudio ; Kaukonen, Markus ^LU ; Fantucci, Piercarlo ; Ryde, Ulf ^LU and De Gioia, Luca (2009) In Angewandte Chemie (International edition) 48(19). p.3503-3506
- Contribution to journal › Article
Mark A first-principles approach to protein–ligand interaction
Söderhjelm, Pär ^LU (2009)
- Thesis › Doctoral thesis (compilation)
2008
Mark Development and Application of a First Principle Molecular Model for Solvent Effects
Öhrn, Anders ^LU (2008)
- Thesis › Doctoral thesis (compilation)
2007
Mark Theoretical Studies of Cytochrome P450
Rydberg, Patrik ^LU (2007)
- Thesis › Doctoral thesis (compilation)

« previous
1
2
3
next »

your query:: Remove keywords: quantum chemistry