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2025
Mark Revealing the 1,4-diethynylbenzene SERS activity and docking studies by DFT
Ding, Jiacheng ; Che, Yandong ; Zhang, Meixia ; Kong, Lingru ; Pullerits, Tõnu ^LU ; Yang, Yanqiu and Song, Peng (2025) In Chemical Physics Letters 867.
- Contribution to journal › Article
Mark Cross-luminescence in BaF₂ crystals doped with M³⁺ and RE³⁺ ions : Hybrid density functional theory study
Platonenko, Alexander ; Chesnokov, Andrei ; Chernenko, Kirill ^LU and Pankratov, Vladimir (2025) In Computational Materials Science 247.
- Contribution to journal › Article
Mark First-principles study of dynamic instability and phase transformation in the WRe and WOs sigma phase
Vesti, Anders ^LU ; Music, Denis ; Hammerschmidt, Thomas ; Palumbo, Mauro and Olsson, Pär A.T. ^LU (2025) In Physical Review Materials 9(6).
- Contribution to journal › Article
Mark Electronic properties of graphene interfaced with multiferroic van der Waals CuCrP₂S₆ from X-ray spectromicroscopy and DFT
Guo, Yefei ; Gu, Yu ; Yang, Jiali ; Zhou, Junhao ; Jin, Yichen ; Li, Tingxin ; Paulus, Beate ; Preobrajenski, Alexei ^LU ; Dedkov, Yuriy and Voloshina, Elena (2025) In Carbon 234.
- Contribution to journal › Article
2024
Mark QM/MM Studies of Nitrogenase
Jiang, Hao ^LU (2024)
- Thesis › Doctoral thesis (compilation)
Mark Structure, oxidation, and catalytic activity of platinum-tin surfaces
Wallander, Harald ^LU (2024)
- Thesis › Doctoral thesis (compilation)
Mark Valence photoelectron spectra of aminobenzoic acid molecules : a combined theoretical and experimental study
Veteläinen, Onni ; Babayan, Morsal ; Rahman Abid, Abdul ; Kukk, Edwin ; Pihlava, Lassi ; Urpelainen, Samuli ^LU ; Huttula, Marko ; Kivimäki, Antti ^LU ; Alatalo, Matti and Patanen, Minna (2024) In Journal of Physics B: Atomic, Molecular and Optical Physics 57(22).
- Contribution to journal › Article
Mark Oxidovanadium(V) complexes with tridentate hydrazone ligands as oxygen atom transfer catalysts
Hossain, Md Kamal ; Haukka, Matti ; Lisensky, George C. ^LU ; Richmond, Michael G. and Nordlander, Ebbe ^LU (2024) In Polyhedron 258.
- Contribution to journal › Article
Mark First-principles study on thermal expansion of W-Re sigma and chi phases
Vesti, Anders ^LU ; Music, Denis and Olsson, Pär ^LU (2024) In Nuclear Materials and Energy 39.
- Contribution to journal › Article
2023
Mark A 2D Bismuth-Induced Honeycomb Surface Structure on GaAs(111)
Liu, Yi ^LU ; Benter, Sandra ^LU ; Ong, Chin Shen ; Maciel, Renan P. ; Björk, Linnéa ; Irish, Austin ^LU ; Eriksson, Olle ; Mikkelsen, Anders ^LU and Timm, Rainer ^LU (2023) In ACS Nano 17(5). p.5047-5058
- Contribution to journal › Article

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