Physical and theoretical chemistry

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2025
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 Synthesis of Siphonazole B Through Domino Cycloisomerization-Oxazolonium Ion Rearrangements
Paulsen, Filip ^LU ; Clementson, Sebastian ^LU ; von Wachenfeldt, Henrik ^LU ; Antoszczak, Michał ; Fridolf, Simon ^LU and Strand, Daniel ^LU (2025) In Chemistry – A European Journal 31(40). p.202501394-202501394
- Contribution to journal › Article
Mark Effect of temperature on the interaction rules between grain size and reaction rate of Al-Ga-based alloys for hydrogen generation
Yang, Xinyu ; Shi, Jie ; Jin, Zhijiang ; Qu, Hongyan ; Guo, Mingzhu ; Wang, Hongchao ; Xia, Maosheng ; Zhang, Zhongyuan ; Gao, Qian and Sun, Xiaoli ^LU , et al. (2025) In Journal of Alloys and Compounds 1024.
- Contribution to journal › Article
Mark Minerals, microbes and melanin drive differential incorporation of fungal necromass carbon and nitrogen into mineral-associated organic matter
Beidler, Katilyn V. ; Huenupi, Elizabeth ; DeLancey, Lang C. ; Maillard, François ^LU ; Zhang, Bowen ^LU ; Persson, Per ^LU ; Kennedy, Peter G. and Phillips, Richard (2025) In Soil Biology and Biochemistry 208.
- Contribution to journal › Article
Mark Theoretical study of novel D-A-π-A-π-A conjugated organic dye sensitizers : impact of alkyl chain and electron-withdrawing functional groups substitution
Li, Jingping ; Guo, Huijie ; Zhong, Yanan ; Pullerits, Tõnu ^LU and Song, Peng (2025) In Solar Energy 297.
- Contribution to journal › Article
Mark Reversible excited state electron transfer in an acceptor-acceptor hetero dyad
Jensen, Jesper Dahl ; Louie, Shayan ; He, Yanmei ^LU ; Chen, Junsheng ^LU ; Nuckolls, Colin and Laursen, Bo W. (2025) In Chemical Science 16(21). p.9525-9534
- Contribution to journal › Article
Mark A multiscale in situ time-resolved study of the nano- to millisecond structural dynamics during protein crystallization
Beck, Christian ; Mosca, Ilaria ; Miñarro, Laura M. ; Sohmen, Benedikt ; Buchholz, Cara ; Maier, Ralph ; Reichart, Lara Franziska ; Grundel, Anna Carlotta ^LU ; Bäuerle, Famke and Nasro, Roody , et al. (2025) In Journal of Applied Crystallography 58(Pt 3). p.845-858
- Contribution to journal › Article
Mark Solvent-induced ion clusters generate long-ranged double-layer forces at high ionic strengths
Ribar, David ^LU ; Woodward, Clifford E. and Forsman, Jan ^LU (2025) In Soft Matter 21(27). p.5562-5572
- Contribution to journal › Article
Mark Ultrafast two-electron transfer drives 2MLCT to 2LMCT excited state conversion in a novel iron(III) dual charge transfer absorber complex
Francis, Samuel ; Bolaño Losada, Iria ^LU ; Allande Calvet, Neus ^LU ; Chabera, Pavel ^LU ; Rice, Craig R. ; Selby, Daniel ; Scattergood, Paul A. ; Yartsev, Arkady ^LU ; Persson, Petter ^LU and Elliott, Paul I.P. (2025)
- Working paper/Preprint › Preprint in preprint archive
Mark Impact of propylene glycol, menthol:thymol deep eutectic solvent, and their blends on the structure and molecular mobility of stratum corneum components
Czyrski, Grzegorz S. ; Qie, Runtian ^LU ; Sparr, Emma ^LU ; Rades, Thomas and Heinz, Andrea (2025) In International Journal of Pharmaceutics 678.
- Contribution to journal › Article

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